methyl 5-[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]ethanoylamino]piperidine-3-carboxylate

Systemtic Name: methyl 5-[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]ethanoylamino]piperidine-3-carboxylate Openeye Name: methyl 5-[[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]acetyl]amino]piperidine-3-carboxylate CAS Name: 5-[[2-[3-[(4-cyanophenyl)methyl]-4-imidazolyl]-1-oxoethyl]amino]-3-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 5-[[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]acetyl]amino]piperidine-3-carboxylate Traditional Name: 5-[[2-[3-(4-cyanobenzyl)imidazol-4-yl]acetyl]amino]nipecotic acid methyl ester Formula: C20H23N5O3 MolecularWeight: 381.42832

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC(CNC1)NC(=O)CC2=CN=CN2CC3=CC=C(C=C3)C#N

Isomeric SMILES

COC(=O)C1CC(CNC1)NC(=O)CC2=CN=CN2CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H23N5O3/c1-28-20(27)16-6-17(10-22-9-16)24-19(26)7-18-11-23-13-25(18)12-15-4-2-14(8-21)3-5-15/h2-5,11,13,16-17,22H,6-7,9-10,12H2,1H3,(H,24,26)