[(7-bromanyl-5-phenyl-3H-1,4-benzodiazepin-2-yl)amino] N-[3-(trifluoromethyl)phenyl]carbamate

Systemtic Name: [(7-bromanyl-5-phenyl-3H-1,4-benzodiazepin-2-yl)amino] N-[3-(trifluoromethyl)phenyl]carbamate Openeye Name: [(7-bromo-5-phenyl-3H-1,4-benzodiazepin-2-yl)amino] N-[3-(trifluoromethyl)phenyl]carbamate CAS Name: N-[3-(trifluoromethyl)phenyl]carbamic acid [(7-bromo-5-phenyl-3H-1,4-benzodiazepin-2-yl)amino] ester IUPAC Name: [(7-bromo-5-phenyl-3H-1,4-benzodiazepin-2-yl)amino] N-[3-(trifluoromethyl)phenyl]carbamate Traditional Name: N-[3-(trifluoromethyl)phenyl]carbamic acid [(7-bromo-5-phenyl-3H-1,4-benzodiazepin-2-yl)amino] ester Formula: C23H16BrF3N4O2 MolecularWeight: 517.29795

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=NC2=C(C=C(C=C2)Br)C(=N1)C3=CC=CC=C3)NOC(=O)NC4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

C1C(=NC2=C(C=C(C=C2)Br)C(=N1)C3=CC=CC=C3)NOC(=O)NC4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C23H16BrF3N4O2/c24-16-9-10-19-18(12-16)21(14-5-2-1-3-6-14)28-13-20(30-19)31-33-22(32)29-17-8-4-7-15(11-17)23(25,26)27/h1-12H,13H2,(H,29,32)(H,30,31)