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

Systemtic Name: tert-butyl N-[2-[5-(2-chlorophenyl)-2-oxidanylidene-3H-1,4-benzodiazepin-1-yl]ethyl]carbamate Openeye Name: tert-butyl N-[2-[5-(2-chlorophenyl)-2-oxo-3H-1,4-benzodiazepin-1-yl]ethyl]carbamate CAS Name: N-[2-[5-(2-chlorophenyl)-2-oxo-3H-1,4-benzodiazepin-1-yl]ethyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2-[5-(2-chlorophenyl)-2-oxo-3H-1,4-benzodiazepin-1-yl]ethyl]carbamate Traditional Name: N-[2-[5-(2-chlorophenyl)-2-keto-3H-1,4-benzodiazepin-1-yl]ethyl]carbamic acid tert-butyl ester Formula: C22H24ClN3O3 MolecularWeight: 413.89726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCN1C(=O)CN=C(C2=CC=CC=C21)C3=CC=CC=C3Cl

Isomeric SMILES

CC(C)(C)OC(=O)NCCN1C(=O)CN=C(C2=CC=CC=C21)C3=CC=CC=C3Cl

InChI

InChI=1S/C22H24ClN3O3/c1-22(2,3)29-21(28)24-12-13-26-18-11-7-5-9-16(18)20(25-14-19(26)27)15-8-4-6-10-17(15)23/h4-11H,12-14H2,1-3H3,(H,24,28)