tert-butyl N-[[3-[(1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl)carbamoylamino]phenyl]methyl]carbamate

Systemtic Name: tert-butyl N-[[3-[(1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl)carbamoylamino]phenyl]methyl]carbamate Openeye Name: tert-butyl N-[[3-[(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)carbamoylamino]phenyl]methyl]carbamate CAS Name: N-[[3-[[[(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)amino]-oxomethyl]amino]phenyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[3-[(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)carbamoylamino]phenyl]methyl]carbamate Traditional Name: N-[3-[(2-keto-1-methyl-5-phenyl-3H-1,4-benzodiazepin-3-yl)carbamoylamino]benzyl]carbamic acid tert-butyl ester Formula: C29H31N5O4 MolecularWeight: 513.58754

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC1=CC(=CC=C1)NC(=O)NC2C(=O)N(C3=CC=CC=C3C(=N2)C4=CC=CC=C4)C

Isomeric SMILES

CC(C)(C)OC(=O)NCC1=CC(=CC=C1)NC(=O)NC2C(=O)N(C3=CC=CC=C3C(=N2)C4=CC=CC=C4)C

InChI

InChI=1S/C29H31N5O4/c1-29(2,3)38-28(37)30-18-19-11-10-14-21(17-19)31-27(36)33-25-26(35)34(4)23-16-9-8-15-22(23)24(32-25)20-12-6-5-7-13-20/h5-17,25H,18H2,1-4H3,(H,30,37)(H2,31,33,36)