methyl 1-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]carbonyl-4-[(3-methylphenyl)methyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]carbonyl-4-[(3-methylphenyl)methyl]piperidine-4-carboxylate Openeye Name: methyl 1-[3-[(4-cyanophenyl)methyl]imidazole-4-carbonyl]-4-(m-tolylmethyl)piperidine-4-carboxylate CAS Name: 1-[[3-[(4-cyanophenyl)methyl]-4-imidazolyl]-oxomethyl]-4-[(3-methylphenyl)methyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[3-[(4-cyanophenyl)methyl]imidazole-4-carbonyl]-4-[(3-methylphenyl)methyl]piperidine-4-carboxylate Traditional Name: 1-[3-(4-cyanobenzyl)imidazole-4-carbonyl]-4-(3-methylbenzyl)isonipecotic acid methyl ester Formula: C27H28N4O3 MolecularWeight: 456.53622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CC2(CCN(CC2)C(=O)C3=CN=CN3CC4=CC=C(C=C4)C#N)C(=O)OC

Isomeric SMILES

CC1=CC(=CC=C1)CC2(CCN(CC2)C(=O)C3=CN=CN3CC4=CC=C(C=C4)C#N)C(=O)OC

InChI

InChI=1S/C27H28N4O3/c1-20-4-3-5-23(14-20)15-27(26(33)34-2)10-12-30(13-11-27)25(32)24-17-29-19-31(24)18-22-8-6-21(16-28)7-9-22/h3-9,14,17,19H,10-13,15,18H2,1-2H3