4-(1,3-benzodioxol-5-yl)-1-(4-fluorophenyl)-5-oxidanylidene-2-pyrrol-1-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-1-(4-fluorophenyl)-5-oxidanylidene-2-pyrrol-1-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 4-(1,3-benzodioxol-5-yl)-1-(4-fluorophenyl)-5-oxo-2-pyrrol-1-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 4-(1,3-benzodioxol-5-yl)-1-(4-fluorophenyl)-5-oxo-2-(1-pyrrolyl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 4-(1,3-benzodioxol-5-yl)-1-(4-fluorophenyl)-5-oxo-2-pyrrol-1-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 4-(1,3-benzodioxol-5-yl)-1-(4-fluorophenyl)-5-keto-2-pyrrol-1-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C27H20FN3O3 MolecularWeight: 453.464403

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(C(=C(N2C3=CC=C(C=C3)F)N4C=CC=C4)C#N)C5=CC6=C(C=C5)OCO6)C(=O)C1

Isomeric SMILES

C1CC2=C(C(C(=C(N2C3=CC=C(C=C3)F)N4C=CC=C4)C#N)C5=CC6=C(C=C5)OCO6)C(=O)C1

InChI

InChI=1S/C27H20FN3O3/c28-18-7-9-19(10-8-18)31-21-4-3-5-22(32)26(21)25(17-6-11-23-24(14-17)34-16-33-23)20(15-29)27(31)30-12-1-2-13-30/h1-2,6-14,25H,3-5,16H2