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

Systemtic Name: 1-(3-methylphenyl)carbonyl-2-phenyl-7-piperazin-1-ylcarbonyl-3,5-dihydro-2H-1,5-benzodiazepin-4-one Openeye Name: 1-(3-methylbenzoyl)-2-phenyl-7-(piperazine-1-carbonyl)-3,5-dihydro-2H-1,5-benzodiazepin-4-one CAS Name: 1-[(3-methylphenyl)-oxomethyl]-7-[oxo(1-piperazinyl)methyl]-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepin-4-one IUPAC Name: 1-(3-methylbenzoyl)-2-phenyl-7-(piperazine-1-carbonyl)-3,5-dihydro-2H-1,5-benzodiazepin-4-one Traditional Name: 1-m-toluoyl-2-phenyl-7-(piperazine-1-carbonyl)-3,5-dihydro-2H-1,5-benzodiazepin-4-one Formula: C28H28N4O3 MolecularWeight: 468.54692

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=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C28H28N4O3/c1-19-6-5-9-21(16-19)28(35)32-24-11-10-22(27(34)31-14-12-29-13-15-31)17-23(24)30-26(33)18-25(32)20-7-3-2-4-8-20/h2-11,16-17,25,29H,12-15,18H2,1H3,(H,30,33)