ethyl 4-[3-(cyclohexylmethyl)-2-oxidanylidene-6-phenylazanyl-1H-benzimidazol-5-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[3-(cyclohexylmethyl)-2-oxidanylidene-6-phenylazanyl-1H-benzimidazol-5-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[6-anilino-3-(cyclohexylmethyl)-2-oxo-1H-benzimidazol-5-yl]piperazine-1-carboxylate CAS Name: 4-[6-anilino-3-(cyclohexylmethyl)-2-oxo-1H-benzimidazol-5-yl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[6-anilino-3-(cyclohexylmethyl)-2-oxo-1H-benzimidazol-5-yl]piperazine-1-carboxylate Traditional Name: 4-[6-anilino-3-(cyclohexylmethyl)-2-keto-1H-benzimidazol-5-yl]piperazine-1-carboxylic acid ethyl ester Formula: C27H35N5O3 MolecularWeight: 477.5985

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=C(C=C3C(=C2)N(C(=O)N3)CC4CCCCC4)NC5=CC=CC=C5

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=C(C=C3C(=C2)N(C(=O)N3)CC4CCCCC4)NC5=CC=CC=C5

InChI

InChI=1S/C27H35N5O3/c1-2-35-27(34)31-15-13-30(14-16-31)24-18-25-23(17-22(24)28-21-11-7-4-8-12-21)29-26(33)32(25)19-20-9-5-3-6-10-20/h4,7-8,11-12,17-18,20,28H,2-3,5-6,9-10,13-16,19H2,1H3,(H,29,33)