tert-butyl N-[(3S)-6,8-dimethyl-4-oxidanylidene-1,2,3,5-tetrahydro-1,5-benzodiazepin-3-yl]carbamate

Systemtic Name: tert-butyl N-[(3S)-6,8-dimethyl-4-oxidanylidene-1,2,3,5-tetrahydro-1,5-benzodiazepin-3-yl]carbamate Openeye Name: tert-butyl N-[(3S)-6,8-dimethyl-4-oxo-1,2,3,5-tetrahydro-1,5-benzodiazepin-3-yl]carbamate CAS Name: N-[(3S)-6,8-dimethyl-4-oxo-1,2,3,5-tetrahydro-1,5-benzodiazepin-3-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(3S)-6,8-dimethyl-4-oxo-1,2,3,5-tetrahydro-1,5-benzodiazepin-3-yl]carbamate Traditional Name: N-[(3S)-4-keto-6,8-dimethyl-1,2,3,5-tetrahydro-1,5-benzodiazepin-3-yl]carbamic acid tert-butyl ester Formula: C16H23N3O3 MolecularWeight: 305.37212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)NCC(C(=O)N2)NC(=O)OC(C)(C)C)C

Isomeric SMILES

CC1=CC(=C2C(=C1)NC[C@@H](C(=O)N2)NC(=O)OC(C)(C)C)C

InChI

InChI=1S/C16H23N3O3/c1-9-6-10(2)13-11(7-9)17-8-12(14(20)19-13)18-15(21)22-16(3,4)5/h6-7,12,17H,8H2,1-5H3,(H,18,21)(H,19,20)/t12-/m0/s1