tert-butyl N-[1-[3-(cyclohexylmethyl)-2-oxidanylidene-6-phenylazanyl-1H-benzimidazol-5-yl]pyrrolidin-3-yl]carbamate

Systemtic Name: tert-butyl N-[1-[3-(cyclohexylmethyl)-2-oxidanylidene-6-phenylazanyl-1H-benzimidazol-5-yl]pyrrolidin-3-yl]carbamate Openeye Name: tert-butyl N-[1-[6-anilino-3-(cyclohexylmethyl)-2-oxo-1H-benzimidazol-5-yl]pyrrolidin-3-yl]carbamate CAS Name: N-[1-[6-anilino-3-(cyclohexylmethyl)-2-oxo-1H-benzimidazol-5-yl]-3-pyrrolidinyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-[6-anilino-3-(cyclohexylmethyl)-2-oxo-1H-benzimidazol-5-yl]pyrrolidin-3-yl]carbamate Traditional Name: N-[1-[6-anilino-3-(cyclohexylmethyl)-2-keto-1H-benzimidazol-5-yl]pyrrolidin-3-yl]carbamic acid tert-butyl ester Formula: C29H39N5O3 MolecularWeight: 505.65166

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1CCN(C1)C2=C(C=C3C(=C2)N(C(=O)N3)CC4CCCCC4)NC5=CC=CC=C5

Isomeric SMILES

CC(C)(C)OC(=O)NC1CCN(C1)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)31-22-14-15-33(19-22)25-17-26-24(16-23(25)30-21-12-8-5-9-13-21)32-27(35)34(26)18-20-10-6-4-7-11-20/h5,8-9,12-13,16-17,20,22,30H,4,6-7,10-11,14-15,18-19H2,1-3H3,(H,31,36)(H,32,35)