N-[(3R)-7-chloranyl-2-oxidanylidene-5-phenyl-1-[2,2,2-tris(fluoranyl)ethyl]-3H-1,4-benzodiazepin-3-yl]-4-(2-oxidanylidene-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide

Systemtic Name: N-[(3R)-7-chloranyl-2-oxidanylidene-5-phenyl-1-[2,2,2-tris(fluoranyl)ethyl]-3H-1,4-benzodiazepin-3-yl]-4-(2-oxidanylidene-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide Openeye Name: N-[(3R)-7-chloro-2-oxo-5-phenyl-1-(2,2,2-trifluoroethyl)-3H-1,4-benzodiazepin-3-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide CAS Name: N-[(3R)-7-chloro-2-oxo-5-phenyl-1-(2,2,2-trifluoroethyl)-3H-1,4-benzodiazepin-3-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)-1-piperidinecarboxamide IUPAC Name: N-[(3R)-7-chloro-2-oxo-5-phenyl-1-(2,2,2-trifluoroethyl)-3H-1,4-benzodiazepin-3-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide Traditional Name: N-[(3R)-7-chloro-2-keto-5-phenyl-1-(2,2,2-trifluoroethyl)-3H-1,4-benzodiazepin-3-yl]-4-(2-keto-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide Formula: C31H28ClF3N6O3 MolecularWeight: 625.04063

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2CC3=CC=CC=C3NC2=O)C(=O)NC4C(=O)N(C5=C(C=C(C=C5)Cl)C(=N4)C6=CC=CC=C6)CC(F)(F)F

Isomeric SMILES

C1CN(CCC1N2CC3=CC=CC=C3NC2=O)C(=O)N[C@H]4C(=O)N(C5=C(C=C(C=C5)Cl)C(=N4)C6=CC=CC=C6)CC(F)(F)F

InChI

InChI=1S/C31H28ClF3N6O3/c32-21-10-11-25-23(16-21)26(19-6-2-1-3-7-19)37-27(28(42)41(25)18-31(33,34)35)38-29(43)39-14-12-22(13-15-39)40-17-20-8-4-5-9-24(20)36-30(40)44/h1-11,16,22,27H,12-15,17-18H2,(H,36,44)(H,38,43)/t27-/m0/s1