tert-butyl N-[3-[3-(6,8-dimethoxy-1-methyl-2-oxidanylidene-7-phenyl-3H-1,4-benzodiazepin-5-yl)phenyl]prop-2-ynyl]carbamate

Systemtic Name: tert-butyl N-[3-[3-(6,8-dimethoxy-1-methyl-2-oxidanylidene-7-phenyl-3H-1,4-benzodiazepin-5-yl)phenyl]prop-2-ynyl]carbamate Openeye Name: tert-butyl N-[3-[3-(6,8-dimethoxy-1-methyl-2-oxo-7-phenyl-3H-1,4-benzodiazepin-5-yl)phenyl]prop-2-ynyl]carbamate CAS Name: N-[3-[3-(6,8-dimethoxy-1-methyl-2-oxo-7-phenyl-3H-1,4-benzodiazepin-5-yl)phenyl]prop-2-ynyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-[3-(6,8-dimethoxy-1-methyl-2-oxo-7-phenyl-3H-1,4-benzodiazepin-5-yl)phenyl]prop-2-ynyl]carbamate Traditional Name: N-[3-[3-(2-keto-6,8-dimethoxy-1-methyl-7-phenyl-3H-1,4-benzodiazepin-5-yl)phenyl]prop-2-ynyl]carbamic acid tert-butyl ester Formula: C32H33N3O5 MolecularWeight: 539.62152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC#CC1=CC(=CC=C1)C2=NCC(=O)N(C3=CC(=C(C(=C32)OC)C4=CC=CC=C4)OC)C

Isomeric SMILES

CC(C)(C)OC(=O)NCC#CC1=CC(=CC=C1)C2=NCC(=O)N(C3=CC(=C(C(=C32)OC)C4=CC=CC=C4)OC)C

InChI

InChI=1S/C32H33N3O5/c1-32(2,3)40-31(37)33-17-11-13-21-12-10-16-23(18-21)29-28-24(35(4)26(36)20-34-29)19-25(38-5)27(30(28)39-6)22-14-8-7-9-15-22/h7-10,12,14-16,18-19H,17,20H2,1-6H3,(H,33,37)