3-azanyl-5-(2-fluorophenyl)-9-methyl-1-[2-(2-methylphenyl)-2-oxidanylidene-ethyl]-3H-1,4-benzodiazepin-2-one

Systemtic Name: 3-azanyl-5-(2-fluorophenyl)-9-methyl-1-[2-(2-methylphenyl)-2-oxidanylidene-ethyl]-3H-1,4-benzodiazepin-2-one Openeye Name: 3-amino-5-(2-fluorophenyl)-9-methyl-1-[2-(o-tolyl)-2-oxo-ethyl]-3H-1,4-benzodiazepin-2-one CAS Name: 3-amino-5-(2-fluorophenyl)-9-methyl-1-[2-(2-methylphenyl)-2-oxoethyl]-3H-1,4-benzodiazepin-2-one IUPAC Name: 3-amino-5-(2-fluorophenyl)-9-methyl-1-[2-(2-methylphenyl)-2-oxoethyl]-3H-1,4-benzodiazepin-2-one Traditional Name: 3-amino-5-(2-fluorophenyl)-1-[2-keto-2-(o-tolyl)ethyl]-9-methyl-3H-1,4-benzodiazepin-2-one Formula: C25H22FN3O2 MolecularWeight: 415.459483

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)CN2C(=O)C(N=C(C3=C2C(=CC=C3)C)C4=CC=CC=C4F)N

Isomeric SMILES

CC1=CC=CC=C1C(=O)CN2C(=O)C(N=C(C3=C2C(=CC=C3)C)C4=CC=CC=C4F)N

InChI

InChI=1S/C25H22FN3O2/c1-15-8-3-4-10-17(15)21(30)14-29-23-16(2)9-7-12-19(23)22(28-24(27)25(29)31)18-11-5-6-13-20(18)26/h3-13,24H,14,27H2,1-2H3