ethyl 1-[[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonylphenyl]methyl]-4-(3-chlorophenyl)-6-methyl-2-oxidanylidene-3,4-dihydropyridine-5-carboxylate

Systemtic Name: ethyl 1-[[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonylphenyl]methyl]-4-(3-chlorophenyl)-6-methyl-2-oxidanylidene-3,4-dihydropyridine-5-carboxylate Openeye Name: ethyl 1-[[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]phenyl]methyl]-4-(3-chlorophenyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate CAS Name: 1-[[3-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-oxomethyl]phenyl]methyl]-4-(3-chlorophenyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 1-[[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]phenyl]methyl]-4-(3-chlorophenyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate Traditional Name: 4-(3-chlorophenyl)-2-keto-6-methyl-1-[3-(4-piperonylpiperazine-1-carbonyl)benzyl]-3,4-dihydropyridine-5-carboxylic acid ethyl ester Formula: C35H36ClN3O6 MolecularWeight: 630.12984

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=O)CC1C2=CC(=CC=C2)Cl)CC3=CC=CC(=C3)C(=O)N4CCN(CC4)CC5=CC6=C(C=C5)OCO6)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=O)CC1C2=CC(=CC=C2)Cl)CC3=CC=CC(=C3)C(=O)N4CCN(CC4)CC5=CC6=C(C=C5)OCO6)C

InChI

InChI=1S/C35H36ClN3O6/c1-3-43-35(42)33-23(2)39(32(40)19-29(33)26-7-5-9-28(36)18-26)21-24-6-4-8-27(16-24)34(41)38-14-12-37(13-15-38)20-25-10-11-30-31(17-25)45-22-44-30/h4-11,16-18,29H,3,12-15,19-22H2,1-2H3