2-(4-fluorophenyl)-1-(3-methylphenyl)carbonyl-7-piperazin-1-ylcarbonyl-3,5-dihydro-2H-1,5-benzodiazepin-4-one

Systemtic Name: 2-(4-fluorophenyl)-1-(3-methylphenyl)carbonyl-7-piperazin-1-ylcarbonyl-3,5-dihydro-2H-1,5-benzodiazepin-4-one Openeye Name: 2-(4-fluorophenyl)-1-(3-methylbenzoyl)-7-(piperazine-1-carbonyl)-3,5-dihydro-2H-1,5-benzodiazepin-4-one CAS Name: 2-(4-fluorophenyl)-1-[(3-methylphenyl)-oxomethyl]-7-[oxo(1-piperazinyl)methyl]-3,5-dihydro-2H-1,5-benzodiazepin-4-one IUPAC Name: 2-(4-fluorophenyl)-1-(3-methylbenzoyl)-7-(piperazine-1-carbonyl)-3,5-dihydro-2H-1,5-benzodiazepin-4-one Traditional Name: 2-(4-fluorophenyl)-1-m-toluoyl-7-(piperazine-1-carbonyl)-3,5-dihydro-2H-1,5-benzodiazepin-4-one Formula: C28H27FN4O3 MolecularWeight: 486.537383

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)N2C(CC(=O)NC3=C2C=CC(=C3)C(=O)N4CCNCC4)C5=CC=C(C=C5)F

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N2C(CC(=O)NC3=C2C=CC(=C3)C(=O)N4CCNCC4)C5=CC=C(C=C5)F

InChI

InChI=1S/C28H27FN4O3/c1-18-3-2-4-20(15-18)28(36)33-24-10-7-21(27(35)32-13-11-30-12-14-32)16-23(24)31-26(34)17-25(33)19-5-8-22(29)9-6-19/h2-10,15-16,25,30H,11-14,17H2,1H3,(H,31,34)