methyl 5-[[1-(4-cyanophenyl)-2-(1H-imidazol-5-yl)propan-2-yl]carbamoyl]-1-phenethyl-piperidine-3-carboxylate

Systemtic Name: methyl 5-[[1-(4-cyanophenyl)-2-(1H-imidazol-5-yl)propan-2-yl]carbamoyl]-1-phenethyl-piperidine-3-carboxylate Openeye Name: methyl 5-[[2-(4-cyanophenyl)-1-(1H-imidazol-5-yl)-1-methyl-ethyl]carbamoyl]-1-phenethyl-piperidine-3-carboxylate CAS Name: 5-[[[1-(4-cyanophenyl)-2-(1H-imidazol-5-yl)propan-2-yl]amino]-oxomethyl]-1-phenethyl-3-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 5-[[1-(4-cyanophenyl)-2-(1H-imidazol-5-yl)propan-2-yl]carbamoyl]-1-phenethylpiperidine-3-carboxylate Traditional Name: 5-[[2-(4-cyanophenyl)-1-(1H-imidazol-5-yl)-1-methyl-ethyl]carbamoyl]-1-phenethyl-nipecotic acid methyl ester Formula: C29H33N5O3 MolecularWeight: 499.60402

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=C(C=C1)C#N)(C2=CN=CN2)NC(=O)C3CC(CN(C3)CCC4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CC(CC1=CC=C(C=C1)C#N)(C2=CN=CN2)NC(=O)C3CC(CN(C3)CCC4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C29H33N5O3/c1-29(26-17-31-20-32-26,15-22-8-10-23(16-30)11-9-22)33-27(35)24-14-25(28(36)37-2)19-34(18-24)13-12-21-6-4-3-5-7-21/h3-11,17,20,24-25H,12-15,18-19H2,1-2H3,(H,31,32)(H,33,35)