tert-butyl N-[2-oxidanylidene-5-(phenylmethyl)-3,4-dihydro-1H-1,5-benzodiazepin-3-yl]carbamate

Systemtic Name: tert-butyl N-[2-oxidanylidene-5-(phenylmethyl)-3,4-dihydro-1H-1,5-benzodiazepin-3-yl]carbamate Openeye Name: tert-butyl N-(5-benzyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-3-yl)carbamate CAS Name: N-[2-oxo-5-(phenylmethyl)-3,4-dihydro-1H-1,5-benzodiazepin-3-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-(5-benzyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-3-yl)carbamate Traditional Name: N-(5-benzyl-2-keto-3,4-dihydro-1H-1,5-benzodiazepin-3-yl)carbamic acid tert-butyl ester Formula: C21H25N3O3 MolecularWeight: 367.4415

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1CN(C2=CC=CC=C2NC1=O)CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)NC1CN(C2=CC=CC=C2NC1=O)CC3=CC=CC=C3

InChI

InChI=1S/C21H25N3O3/c1-21(2,3)27-20(26)23-17-14-24(13-15-9-5-4-6-10-15)18-12-8-7-11-16(18)22-19(17)25/h4-12,17H,13-14H2,1-3H3,(H,22,25)(H,23,26)