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

Systemtic Name: 1-(3,3-dimethylbutanoyl)-2-(4-fluorophenyl)-7-piperazin-1-ylcarbonyl-3,5-dihydro-2H-1,5-benzodiazepin-4-one Openeye Name: 1-(3,3-dimethylbutanoyl)-2-(4-fluorophenyl)-7-(piperazine-1-carbonyl)-3,5-dihydro-2H-1,5-benzodiazepin-4-one CAS Name: 1-(3,3-dimethyl-1-oxobutyl)-2-(4-fluorophenyl)-7-[oxo(1-piperazinyl)methyl]-3,5-dihydro-2H-1,5-benzodiazepin-4-one IUPAC Name: 1-(3,3-dimethylbutanoyl)-2-(4-fluorophenyl)-7-(piperazine-1-carbonyl)-3,5-dihydro-2H-1,5-benzodiazepin-4-one Traditional Name: 1-(3,3-dimethylbutanoyl)-2-(4-fluorophenyl)-7-(piperazine-1-carbonyl)-3,5-dihydro-2H-1,5-benzodiazepin-4-one Formula: C26H31FN4O3 MolecularWeight: 466.547743

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)N1C(CC(=O)NC2=C1C=CC(=C2)C(=O)N3CCNCC3)C4=CC=C(C=C4)F

Isomeric SMILES

CC(C)(C)CC(=O)N1C(CC(=O)NC2=C1C=CC(=C2)C(=O)N3CCNCC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C26H31FN4O3/c1-26(2,3)16-24(33)31-21-9-6-18(25(34)30-12-10-28-11-13-30)14-20(21)29-23(32)15-22(31)17-4-7-19(27)8-5-17/h4-9,14,22,28H,10-13,15-16H2,1-3H3,(H,29,32)