4-(6-chloranyl-1,3-benzodioxol-5-yl)-7-(4-methoxyphenyl)-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile

Systemtic Name: 4-(6-chloranyl-1,3-benzodioxol-5-yl)-7-(4-methoxyphenyl)-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile Openeye Name: 4-(6-chloro-1,3-benzodioxol-5-yl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile CAS Name: 4-(6-chloro-1,3-benzodioxol-5-yl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile IUPAC Name: 4-(6-chloro-1,3-benzodioxol-5-yl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile Traditional Name: 4-(6-chloro-1,3-benzodioxol-5-yl)-5-keto-7-(4-methoxyphenyl)-2-methyl-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile Formula: C25H21ClN2O4 MolecularWeight: 448.89824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)OC)C4=CC5=C(C=C4Cl)OCO5)C#N

Isomeric SMILES

CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)OC)C4=CC5=C(C=C4Cl)OCO5)C#N

InChI

InChI=1S/C25H21ClN2O4/c1-13-18(11-27)24(17-9-22-23(10-19(17)26)32-12-31-22)25-20(28-13)7-15(8-21(25)29)14-3-5-16(30-2)6-4-14/h3-6,9-10,15,24,28H,7-8,12H2,1-2H3