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

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-1-(3-methylphenyl)-5-oxidanylidene-2-pyrrol-1-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 4-(1,3-benzodioxol-5-yl)-1-(m-tolyl)-5-oxo-2-pyrrol-1-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 4-(1,3-benzodioxol-5-yl)-1-(3-methylphenyl)-5-oxo-2-(1-pyrrolyl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 4-(1,3-benzodioxol-5-yl)-1-(3-methylphenyl)-5-oxo-2-pyrrol-1-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 4-(1,3-benzodioxol-5-yl)-5-keto-1-(m-tolyl)-2-pyrrol-1-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C28H23N3O3 MolecularWeight: 449.50052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C3=C(C(C(=C2N4C=CC=C4)C#N)C5=CC6=C(C=C5)OCO6)C(=O)CCC3

Isomeric SMILES

CC1=CC(=CC=C1)N2C3=C(C(C(=C2N4C=CC=C4)C#N)C5=CC6=C(C=C5)OCO6)C(=O)CCC3

InChI

InChI=1S/C28H23N3O3/c1-18-6-4-7-20(14-18)31-22-8-5-9-23(32)27(22)26(19-10-11-24-25(15-19)34-17-33-24)21(16-29)28(31)30-12-2-3-13-30/h2-4,6-7,10-15,26H,5,8-9,17H2,1H3