ISDA: 9T0U

Atom Indices

Bond Indices

Highlight Substructure

Structural Complex

Chemical ID: A1JSU

IUPAC Name: 5-propan-2-yl-7,8-dihydro-6~{H}-indeno[1,2-b]indole-9,10-dione

Formal Charge: 0

Type: non-polymer

Substructure

Substruture Type: MurckoScaffold

SMILES: O=C1CCCc2[nH]c3c(c21)C(=O)c1ccccc1-3

InChI: InChI=1S/C15H11NO2/c17-11-7-3-6-10-12(11)13-14(16-10)8-4-1-2-5-9(8)15(13)18/h1-2,4-5,16H,3,6-7H2

InChI Key: IVABJGUJUBMNQO-UHFFFAOYSA-N

Physiochemical Descriptor:

Formula: C18 H17 N O2

Molecular weight: 279.333

Hydrogen Bond Acceptor: 3

Hydrogen Bond Donor: 0

Rotatable Bonds: 3

Heavy Atoms: 21

Systematic name

Program	Version	Descriptor
OpenEye OEToolkits	2.0.7	5-propan-2-yl-7,8-dihydro-6~{H}-indeno[1,2-b]indole-9,10-dione

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C18H17NO2/c1-10(2)19-13-8-5-9-14(20)15(13)16-17(19)11-6-3-4-7-12(11)18(16)21/h3-4,6-7,10H,5,8-9H2,1-2H3
InChIKey	InChI	1.06	DGOKKNPUISUUGY-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	CC(C)n1c2CCCC(=O)c2c3C(=O)c4ccccc4c13
SMILES	CACTVS	3.385	CC(C)n1c2CCCC(=O)c2c3C(=O)c4ccccc4c13
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	CC(C)n1c2c(c3c1-c4ccccc4C3=O)C(=O)CCC2
SMILES	OpenEye OEToolkits	2.0.7	CC(C)n1c2c(c3c1-c4ccccc4C3=O)C(=O)CCC2