4-(1,3-benzodioxol-5-yl)-1-(4-fluorophenyl)-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-(4-fluorophenyl)-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-(4-fluorophenyl)-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-(4-fluorophenyl)-7,7-dimethyl-5-oxo-2-(1-pyrrolyl)-6,8-dihydro-4H-quinoline-3-carbonitrile IUPAC Name: 4-(1,3-benzodioxol-5-yl)-1-(4-fluorophenyl)-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-(4-fluorophenyl)-5-keto-7,7-dimethyl-2-pyrrol-1-yl-6,8-dihydro-4H-quinoline-3-carbonitrile Formula: C29H24FN3O3 MolecularWeight: 481.517563

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C29H24FN3O3/c1-29(2)14-22-27(23(34)15-29)26(18-5-10-24-25(13-18)36-17-35-24)21(16-31)28(32-11-3-4-12-32)33(22)20-8-6-19(30)7-9-20/h3-13,26H,14-15,17H2,1-2H3