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

Systemtic Name: tert-butyl N-[(1S)-1-(2-oxidanylidene-3,4-dihydro-1,4-benzodiazepin-5-yl)ethyl]carbamate Openeye Name: tert-butyl N-[(1S)-1-(2-oxo-3,4-dihydro-1,4-benzodiazepin-5-yl)ethyl]carbamate CAS Name: N-[(1S)-1-(2-oxo-3,4-dihydro-1,4-benzodiazepin-5-yl)ethyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(1S)-1-(2-oxo-3,4-dihydro-1,4-benzodiazepin-5-yl)ethyl]carbamate Traditional Name: N-[(1S)-1-(2-keto-3,4-dihydro-1,4-benzodiazepin-5-yl)ethyl]carbamic acid tert-butyl ester Formula: C16H21N3O3 MolecularWeight: 303.35624

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C2C=CC=CC2=NC(=O)CN1)NC(=O)OC(C)(C)C

Isomeric SMILES

C[C@@H](C1=C2C=CC=CC2=NC(=O)CN1)NC(=O)OC(C)(C)C

InChI

InChI=1S/C16H21N3O3/c1-10(18-15(21)22-16(2,3)4)14-11-7-5-6-8-12(11)19-13(20)9-17-14/h5-8,10,17H,9H2,1-4H3,(H,18,21)/t10-/m0/s1