4-(1,3-benzodioxol-5-yl)-1-(3-chlorophenyl)-7,7-dimethyl-5-oxidanylidene-2-pyrrol-1-yl-6,8-dihydro-4H-quinoline-3-carbonitrile

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-1-(3-chlorophenyl)-7,7-dimethyl-5-oxidanylidene-2-pyrrol-1-yl-6,8-dihydro-4H-quinoline-3-carbonitrile Openeye Name: 4-(1,3-benzodioxol-5-yl)-1-(3-chlorophenyl)-7,7-dimethyl-5-oxo-2-pyrrol-1-yl-6,8-dihydro-4H-quinoline-3-carbonitrile CAS Name: 4-(1,3-benzodioxol-5-yl)-1-(3-chlorophenyl)-7,7-dimethyl-5-oxo-2-(1-pyrrolyl)-6,8-dihydro-4H-quinoline-3-carbonitrile IUPAC Name: 4-(1,3-benzodioxol-5-yl)-1-(3-chlorophenyl)-7,7-dimethyl-5-oxo-2-pyrrol-1-yl-6,8-dihydro-4H-quinoline-3-carbonitrile Traditional Name: 4-(1,3-benzodioxol-5-yl)-1-(3-chlorophenyl)-5-keto-7,7-dimethyl-2-pyrrol-1-yl-6,8-dihydro-4H-quinoline-3-carbonitrile Formula: C29H24ClN3O3 MolecularWeight: 497.97216

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(C(=C(N2C3=CC(=CC=C3)Cl)N4C=CC=C4)C#N)C5=CC6=C(C=C5)OCO6)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C(C(=C(N2C3=CC(=CC=C3)Cl)N4C=CC=C4)C#N)C5=CC6=C(C=C5)OCO6)C(=O)C1)C

InChI

InChI=1S/C29H24ClN3O3/c1-29(2)14-22-27(23(34)15-29)26(18-8-9-24-25(12-18)36-17-35-24)21(16-31)28(32-10-3-4-11-32)33(22)20-7-5-6-19(30)13-20/h3-13,26H,14-15,17H2,1-2H3