ISDA: 2YOE

Atom Indices

Bond Indices

Highlight Substructure

Structural Complex

Chemical ID: FL7

IUPAC Name: Flurazepam

Formal Charge: 0

Type: NON-POLYMER

Substructure

Substruture Type: MurckoScaffold

SMILES: O=C1CN=C(c2ccccc2)c2ccccc2N1

InChI: InChI=1S/C15H12N2O/c18-14-10-16-15(11-6-2-1-3-7-11)12-8-4-5-9-13(12)17-14/h1-9H,10H2,(H,17,18)

InChI Key: IVUAAOBNUNMJQC-UHFFFAOYSA-N

Physiochemical Descriptor:

Formula: C21 H23 Cl F N3 O

Molecular weight: 387.878

Hydrogen Bond Acceptor: 3

Hydrogen Bond Donor: 0

Rotatable Bonds: 8

Heavy Atoms: 27

Systematic name

Program	Version	Descriptor
ACDLabs	12.01	7-chloro-1-[2-(diethylamino)ethyl]-5-(2-fluorophenyl)-1,3-dihydro-2H-1,4-benzodiazepin-2-one
OpenEye OEToolkits	1.7.6	7-chloranyl-1-[2-(diethylamino)ethyl]-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-one

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Fc3ccccc3C2=NCC(=O)N(c1ccc(Cl)cc12)CCN(CC)CC
InChI	InChI	1.03	InChI=1S/C21H23ClFN3O/c1-3-25(4-2)11-12-26-19-10-9-15(22)13-17(19)21(24-14-20(26)27)16-7-5-6-8-18(16)23/h5-10,13H,3-4,11-12,14H2,1-2H3
InChIKey	InChI	1.03	SAADBVWGJQAEFS-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.370	CCN(CC)CCN1C(=O)CN=C(c2ccccc2F)c3cc(Cl)ccc13
SMILES	CACTVS	3.370	CCN(CC)CCN1C(=O)CN=C(c2ccccc2F)c3cc(Cl)ccc13
SMILES_CANONICAL	OpenEye OEToolkits	1.7.6	CCN(CC)CCN1c2ccc(cc2C(=NCC1=O)c3ccccc3F)Cl
SMILES	OpenEye OEToolkits	1.7.6	CCN(CC)CCN1c2ccc(cc2C(=NCC1=O)c3ccccc3F)Cl

Chemical Database Mapping