ethyl 4-[1-[1-(cyclohexylmethyl)benzimidazol-2-yl]piperidin-3-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[1-[1-(cyclohexylmethyl)benzimidazol-2-yl]piperidin-3-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[1-[1-(cyclohexylmethyl)benzimidazol-2-yl]piperidine-3-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[1-[1-(cyclohexylmethyl)-2-benzimidazolyl]-3-piperidinyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[1-[1-(cyclohexylmethyl)benzimidazol-2-yl]piperidine-3-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[1-[1-(cyclohexylmethyl)benzimidazol-2-yl]nipecotoyl]piperazine-1-carboxylic acid ethyl ester Formula: C27H39N5O3 MolecularWeight: 481.63026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2CCCN(C2)C3=NC4=CC=CC=C4N3CC5CCCCC5

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2CCCN(C2)C3=NC4=CC=CC=C4N3CC5CCCCC5

InChI

InChI=1S/C27H39N5O3/c1-2-35-27(34)30-17-15-29(16-18-30)25(33)22-11-8-14-31(20-22)26-28-23-12-6-7-13-24(23)32(26)19-21-9-4-3-5-10-21/h6-7,12-13,21-22H,2-5,8-11,14-20H2,1H3