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

Systemtic Name: tert-butyl 4-[3-(cyclohexylmethyl)-2-oxidanylidene-6-phenylazanyl-1H-benzimidazol-5-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 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 tert-butyl ester IUPAC Name: tert-butyl 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 tert-butyl ester Formula: C29H39N5O3 MolecularWeight: 505.65166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H39N5O3/c1-29(2,3)37-28(36)33-16-14-32(15-17-33)25-19-26-24(18-23(25)30-22-12-8-5-9-13-22)31-27(35)34(26)20-21-10-6-4-7-11-21/h5,8-9,12-13,18-19,21,30H,4,6-7,10-11,14-17,20H2,1-3H3,(H,31,35)