(3S)-3-azanyl-1-methyl-5-[4-(trifluoromethyl)phenyl]-3H-1,4-benzodiazepin-2-one

Systemtic Name: (3S)-3-azanyl-1-methyl-5-[4-(trifluoromethyl)phenyl]-3H-1,4-benzodiazepin-2-one Openeye Name: (3S)-3-amino-1-methyl-5-[4-(trifluoromethyl)phenyl]-3H-1,4-benzodiazepin-2-one CAS Name: (3S)-3-amino-1-methyl-5-[4-(trifluoromethyl)phenyl]-3H-1,4-benzodiazepin-2-one IUPAC Name: (3S)-3-amino-1-methyl-5-[4-(trifluoromethyl)phenyl]-3H-1,4-benzodiazepin-2-one Traditional Name: (3S)-3-amino-1-methyl-5-[4-(trifluoromethyl)phenyl]-3H-1,4-benzodiazepin-2-one Formula: C17H14F3N3O MolecularWeight: 333.30777

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=NC(C1=O)N)C3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

CN1C2=CC=CC=C2C(=N[C@@H](C1=O)N)C3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C17H14F3N3O/c1-23-13-5-3-2-4-12(13)14(22-15(21)16(23)24)10-6-8-11(9-7-10)17(18,19)20/h2-9,15H,21H2,1H3/t15-/m0/s1