4-(1,3-benzodioxol-5-yl)-7-(4-methoxyphenyl)-2-methyl-5-oxidanylidene-4,4a,6,7-tetrahydro-1H-quinoline-3-carbonitrile

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-7-(4-methoxyphenyl)-2-methyl-5-oxidanylidene-4,4a,6,7-tetrahydro-1H-quinoline-3-carbonitrile Openeye Name: 4-(1,3-benzodioxol-5-yl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3-carbonitrile CAS Name: 4-(1,3-benzodioxol-5-yl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3-carbonitrile IUPAC Name: 4-(1,3-benzodioxol-5-yl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3-carbonitrile Traditional Name: 4-(1,3-benzodioxol-5-yl)-5-keto-7-(4-methoxyphenyl)-2-methyl-4,4a,6,7-tetrahydro-1H-quinoline-3-carbonitrile Formula: C25H22N2O4 MolecularWeight: 414.45318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2C(=O)CC(C=C2N1)C3=CC=C(C=C3)OC)C4=CC5=C(C=C4)OCO5)C#N

Isomeric SMILES

CC1=C(C(C2C(=O)CC(C=C2N1)C3=CC=C(C=C3)OC)C4=CC5=C(C=C4)OCO5)C#N

InChI

InChI=1S/C25H22N2O4/c1-14-19(12-26)24(16-5-8-22-23(11-16)31-13-30-22)25-20(27-14)9-17(10-21(25)28)15-3-6-18(29-2)7-4-15/h3-9,11,17,24-25,27H,10,13H2,1-2H3