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

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-1-(3-chloranyl-4-methyl-phenyl)-5-oxidanylidene-2-pyrrol-1-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 4-(1,3-benzodioxol-5-yl)-1-(3-chloro-4-methyl-phenyl)-5-oxo-2-pyrrol-1-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 4-(1,3-benzodioxol-5-yl)-1-(3-chloro-4-methylphenyl)-5-oxo-2-(1-pyrrolyl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 4-(1,3-benzodioxol-5-yl)-1-(3-chloro-4-methylphenyl)-5-oxo-2-pyrrol-1-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 4-(1,3-benzodioxol-5-yl)-1-(3-chloro-4-methyl-phenyl)-5-keto-2-pyrrol-1-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C28H22ClN3O3 MolecularWeight: 483.94558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H22ClN3O3/c1-17-7-9-19(14-21(17)29)32-22-5-4-6-23(33)27(22)26(18-8-10-24-25(13-18)35-16-34-24)20(15-30)28(32)31-11-2-3-12-31/h2-3,7-14,26H,4-6,16H2,1H3