(9S)-7-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-chloranyl-5-(4-fluorophenyl)-9-methyl-9,10-dihydro-8H-[1,4]diazepino[2,1-g][1,7]naphthyridine-6,12-dione

Systemtic Name: (9S)-7-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-chloranyl-5-(4-fluorophenyl)-9-methyl-9,10-dihydro-8H-[1,4]diazepino[2,1-g][1,7]naphthyridine-6,12-dione Openeye Name: (9S)-7-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-chloro-5-(4-fluorophenyl)-9-methyl-9,10-dihydro-8H-[1,4]diazepino[2,1-g][1,7]naphthyridine-6,12-dione CAS Name: (9S)-7-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-chloro-5-(4-fluorophenyl)-9-methyl-9,10-dihydro-8H-[1,4]diazepino[2,1-g][1,7]naphthyridine-6,12-dione IUPAC Name: (9S)-7-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-chloro-5-(4-fluorophenyl)-9-methyl-9,10-dihydro-8H-[1,4]diazepino[2,1-g][1,7]naphthyridine-6,12-dione Traditional Name: (9S)-7-[3,5-bis(trifluoromethyl)benzyl]-2-chloro-5-(4-fluorophenyl)-9-methyl-9,10-dihydro-8H-[1,4]diazepino[2,1-g][1,7]naphthyridine-6,12-quinone Formula: C28H19ClF7N3O2 MolecularWeight: 597.911182

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C(=O)C2=C(C3=C(C(=O)N2C1)N=C(C=C3)Cl)C4=CC=C(C=C4)F)CC5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F

Isomeric SMILES

C[C@H]1CN(C(=O)C2=C(C3=C(C(=O)N2C1)N=C(C=C3)Cl)C4=CC=C(C=C4)F)CC5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C28H19ClF7N3O2/c1-14-11-38(13-15-8-17(27(31,32)33)10-18(9-15)28(34,35)36)26(41)24-22(16-2-4-19(30)5-3-16)20-6-7-21(29)37-23(20)25(40)39(24)12-14/h2-10,14H,11-13H2,1H3/t14-/m0/s1