O3-ethyl O5-methyl 4-(4-cyanopyridin-2-yl)-4-[4-(diphenylmethyl)piperazin-1-yl]-2,6-dimethyl-1-phenyl-pyridine-3,5-dicarboxylate

Systemtic Name: O3-ethyl O5-methyl 4-(4-cyanopyridin-2-yl)-4-[4-(diphenylmethyl)piperazin-1-yl]-2,6-dimethyl-1-phenyl-pyridine-3,5-dicarboxylate Openeye Name: O3-ethyl O5-methyl 4-(4-benzhydrylpiperazin-1-yl)-4-(4-cyano-2-pyridyl)-2,6-dimethyl-1-phenyl-pyridine-3,5-dicarboxylate CAS Name: 4-(4-cyano-2-pyridinyl)-4-[4-(diphenylmethyl)-1-piperazinyl]-2,6-dimethyl-1-phenylpyridine-3,5-dicarboxylic acid O3-ethyl ester O5-methyl ester IUPAC Name: 3-O-ethyl 5-O-methyl 4-(4-benzhydrylpiperazin-1-yl)-4-(4-cyanopyridin-2-yl)-2,6-dimethyl-1-phenylpyridine-3,5-dicarboxylate Traditional Name: 4-(4-benzhydrylpiperazino)-4-(4-cyano-2-pyridyl)-2,6-dimethyl-1-phenyl-pyridine-3,5-dicarboxylic acid O3-ethyl ester O5-methyl ester Formula: C41H41N5O4 MolecularWeight: 667.79534

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C(C1(C2=NC=CC(=C2)C#N)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)C(=O)OC)C)C6=CC=CC=C6)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C(C1(C2=NC=CC(=C2)C#N)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)C(=O)OC)C)C6=CC=CC=C6)C

InChI

InChI=1S/C41H41N5O4/c1-5-50-40(48)37-30(3)46(34-19-13-8-14-20-34)29(2)36(39(47)49-4)41(37,35-27-31(28-42)21-22-43-35)45-25-23-44(24-26-45)38(32-15-9-6-10-16-32)33-17-11-7-12-18-33/h6-22,27,38H,5,23-26H2,1-4H3