tert-butyl 4-[3-(cyclohexylmethyl)-2-oxidanylidene-6-phenylazanyl-1H-benzimidazol-5-yl]-1,4-diazepane-1-carboxylate

Systemtic Name: tert-butyl 4-[3-(cyclohexylmethyl)-2-oxidanylidene-6-phenylazanyl-1H-benzimidazol-5-yl]-1,4-diazepane-1-carboxylate Openeye Name: tert-butyl 4-[6-anilino-3-(cyclohexylmethyl)-2-oxo-1H-benzimidazol-5-yl]-1,4-diazepane-1-carboxylate CAS Name: 4-[6-anilino-3-(cyclohexylmethyl)-2-oxo-1H-benzimidazol-5-yl]-1,4-diazepane-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[6-anilino-3-(cyclohexylmethyl)-2-oxo-1H-benzimidazol-5-yl]-1,4-diazepane-1-carboxylate Traditional Name: 4-[6-anilino-3-(cyclohexylmethyl)-2-keto-1H-benzimidazol-5-yl]-1,4-diazepane-1-carboxylic acid tert-butyl ester Formula: C30H41N5O3 MolecularWeight: 519.67824

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCN(CC1)C2=C(C=C3C(=C2)N(C(=O)N3)CC4CCCCC4)NC5=CC=CC=C5

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCN(CC1)C2=C(C=C3C(=C2)N(C(=O)N3)CC4CCCCC4)NC5=CC=CC=C5

InChI

InChI=1S/C30H41N5O3/c1-30(2,3)38-29(37)34-16-10-15-33(17-18-34)26-20-27-25(19-24(26)31-23-13-8-5-9-14-23)32-28(36)35(27)21-22-11-6-4-7-12-22/h5,8-9,13-14,19-20,22,31H,4,6-7,10-12,15-18,21H2,1-3H3,(H,32,36)