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

Systemtic Name: tert-butyl N-[3-[3-(8-methoxy-1-methyl-2-oxidanylidene-7-phenyl-3H-1,4-benzodiazepin-5-yl)phenyl]prop-2-ynyl]carbamate Openeye Name: tert-butyl N-[3-[3-(8-methoxy-1-methyl-2-oxo-7-phenyl-3H-1,4-benzodiazepin-5-yl)phenyl]prop-2-ynyl]carbamate CAS Name: N-[3-[3-(8-methoxy-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-(8-methoxy-1-methyl-2-oxo-7-phenyl-3H-1,4-benzodiazepin-5-yl)phenyl]prop-2-ynyl]carbamate Traditional Name: N-[3-[3-(2-keto-8-methoxy-1-methyl-7-phenyl-3H-1,4-benzodiazepin-5-yl)phenyl]prop-2-ynyl]carbamic acid tert-butyl ester Formula: C31H31N3O4 MolecularWeight: 509.59554

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC#CC1=CC(=CC=C1)C2=NCC(=O)N(C3=C2C=C(C(=C3)OC)C4=CC=CC=C4)C

Isomeric SMILES

CC(C)(C)OC(=O)NCC#CC1=CC(=CC=C1)C2=NCC(=O)N(C3=C2C=C(C(=C3)OC)C4=CC=CC=C4)C

InChI

InChI=1S/C31H31N3O4/c1-31(2,3)38-30(36)32-16-10-12-21-11-9-15-23(17-21)29-25-18-24(22-13-7-6-8-14-22)27(37-5)19-26(25)34(4)28(35)20-33-29/h6-9,11,13-15,17-19H,16,20H2,1-5H3,(H,32,36)