tert-butyl N-(2-oxidanylidene-5-pyridin-2-ylcarbonyl-3,4-dihydro-1H-1,5-benzodiazepin-3-yl)carbamate

Systemtic Name: tert-butyl N-(2-oxidanylidene-5-pyridin-2-ylcarbonyl-3,4-dihydro-1H-1,5-benzodiazepin-3-yl)carbamate Openeye Name: tert-butyl N-[2-oxo-5-(pyridine-2-carbonyl)-3,4-dihydro-1H-1,5-benzodiazepin-3-yl]carbamate CAS Name: N-[2-oxo-5-[oxo(2-pyridinyl)methyl]-3,4-dihydro-1H-1,5-benzodiazepin-3-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2-oxo-5-(pyridine-2-carbonyl)-3,4-dihydro-1H-1,5-benzodiazepin-3-yl]carbamate Traditional Name: N-(2-keto-5-picolinoyl-3,4-dihydro-1H-1,5-benzodiazepin-3-yl)carbamic acid tert-butyl ester Formula: C20H22N4O4 MolecularWeight: 382.41308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1CN(C2=CC=CC=C2NC1=O)C(=O)C3=CC=CC=N3

Isomeric SMILES

CC(C)(C)OC(=O)NC1CN(C2=CC=CC=C2NC1=O)C(=O)C3=CC=CC=N3

InChI

InChI=1S/C20H22N4O4/c1-20(2,3)28-19(27)23-15-12-24(18(26)14-9-6-7-11-21-14)16-10-5-4-8-13(16)22-17(15)25/h4-11,15H,12H2,1-3H3,(H,22,25)(H,23,27)