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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2CCN(CC2)C3=NC4=CC=CC=C4N3CC5CCCCC5

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2CCN(CC2)C3=NC4=CC=CC=C4N3CC5CCCCC5

InChI

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