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

Systemtic Name: ethyl 4-[1-[1-(3-methylbutyl)benzimidazol-2-yl]piperidin-3-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[1-(1-isopentylbenzimidazol-2-yl)piperidine-3-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[1-[1-(3-methylbutyl)-2-benzimidazolyl]-3-piperidinyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[1-[1-(3-methylbutyl)benzimidazol-2-yl]piperidine-3-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[1-(1-isoamylbenzimidazol-2-yl)nipecotoyl]piperazine-1-carboxylic acid ethyl ester Formula: C25H37N5O3 MolecularWeight: 455.59298

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2CCCN(C2)C3=NC4=CC=CC=C4N3CCC(C)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2CCCN(C2)C3=NC4=CC=CC=C4N3CCC(C)C

InChI

InChI=1S/C25H37N5O3/c1-4-33-25(32)28-16-14-27(15-17-28)23(31)20-8-7-12-29(18-20)24-26-21-9-5-6-10-22(21)30(24)13-11-19(2)3/h5-6,9-10,19-20H,4,7-8,11-18H2,1-3H3