tert-butyl N-[5-(2-oxidanylidenecyclopentyl)-1,2,3,4-tetrahydro-1,5-benzodiazepin-3-yl]carbamate

Systemtic Name: tert-butyl N-[5-(2-oxidanylidenecyclopentyl)-1,2,3,4-tetrahydro-1,5-benzodiazepin-3-yl]carbamate Openeye Name: tert-butyl N-[5-(2-oxocyclopentyl)-1,2,3,4-tetrahydro-1,5-benzodiazepin-3-yl]carbamate CAS Name: N-[5-(2-oxocyclopentyl)-1,2,3,4-tetrahydro-1,5-benzodiazepin-3-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[5-(2-oxocyclopentyl)-1,2,3,4-tetrahydro-1,5-benzodiazepin-3-yl]carbamate Traditional Name: N-[5-(2-ketocyclopentyl)-1,2,3,4-tetrahydro-1,5-benzodiazepin-3-yl]carbamic acid tert-butyl ester Formula: C19H27N3O3 MolecularWeight: 345.43598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1CNC2=CC=CC=C2N(C1)C3CCCC3=O

Isomeric SMILES

CC(C)(C)OC(=O)NC1CNC2=CC=CC=C2N(C1)C3CCCC3=O

InChI

InChI=1S/C19H27N3O3/c1-19(2,3)25-18(24)21-13-11-20-14-7-4-5-8-15(14)22(12-13)16-9-6-10-17(16)23/h4-5,7-8,13,16,20H,6,9-12H2,1-3H3,(H,21,24)