tert-butyl N-[2-[4-(3,5-dimethylphenyl)carbonyl-5-phenyl-1,4-diazepan-1-yl]-2-oxidanylidene-ethyl]carbamate

Systemtic Name: tert-butyl N-[2-[4-(3,5-dimethylphenyl)carbonyl-5-phenyl-1,4-diazepan-1-yl]-2-oxidanylidene-ethyl]carbamate Openeye Name: tert-butyl N-[2-[4-(3,5-dimethylbenzoyl)-5-phenyl-1,4-diazepan-1-yl]-2-oxo-ethyl]carbamate CAS Name: N-[2-[4-[(3,5-dimethylphenyl)-oxomethyl]-5-phenyl-1,4-diazepan-1-yl]-2-oxoethyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2-[4-(3,5-dimethylbenzoyl)-5-phenyl-1,4-diazepan-1-yl]-2-oxoethyl]carbamate Traditional Name: N-[2-[4-(3,5-dimethylbenzoyl)-5-phenyl-1,4-diazepan-1-yl]-2-keto-ethyl]carbamic acid tert-butyl ester Formula: C27H35N3O4 MolecularWeight: 465.5845

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)N2CCN(CCC2C3=CC=CC=C3)C(=O)CNC(=O)OC(C)(C)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)N2CCN(CCC2C3=CC=CC=C3)C(=O)CNC(=O)OC(C)(C)C)C

InChI

InChI=1S/C27H35N3O4/c1-19-15-20(2)17-22(16-19)25(32)30-14-13-29(12-11-23(30)21-9-7-6-8-10-21)24(31)18-28-26(33)34-27(3,4)5/h6-10,15-17,23H,11-14,18H2,1-5H3,(H,28,33)