tert-butyl N-[(2-oxidanylidene-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)-(3-phenylpropanoyl)amino]carbamate

Systemtic Name: tert-butyl N-[(2-oxidanylidene-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)-(3-phenylpropanoyl)amino]carbamate Openeye Name: tert-butyl N-[(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)-(3-phenylpropanoyl)amino]carbamate CAS Name: N-[(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)-(1-oxo-3-phenylpropyl)amino]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)-(3-phenylpropanoyl)amino]carbamate Traditional Name: N-[hydrocinnamoyl-(2-keto-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)amino]carbamic acid tert-butyl ester Formula: C29H30N4O4 MolecularWeight: 498.5729

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NN(C1C(=O)NC2=CC=CC=C2C(=N1)C3=CC=CC=C3)C(=O)CCC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)NN(C1C(=O)NC2=CC=CC=C2C(=N1)C3=CC=CC=C3)C(=O)CCC4=CC=CC=C4

InChI

InChI=1S/C29H30N4O4/c1-29(2,3)37-28(36)32-33(24(34)19-18-20-12-6-4-7-13-20)26-27(35)30-23-17-11-10-16-22(23)25(31-26)21-14-8-5-9-15-21/h4-17,26H,18-19H2,1-3H3,(H,30,35)(H,32,36)