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

Systemtic Name: 2-(4-fluorophenyl)-1-(3-methylbutanoyl)-7-piperazin-1-ylcarbonyl-3,5-dihydro-2H-1,5-benzodiazepin-4-one Openeye Name: 2-(4-fluorophenyl)-1-(3-methylbutanoyl)-7-(piperazine-1-carbonyl)-3,5-dihydro-2H-1,5-benzodiazepin-4-one CAS Name: 2-(4-fluorophenyl)-1-(3-methyl-1-oxobutyl)-7-[oxo(1-piperazinyl)methyl]-3,5-dihydro-2H-1,5-benzodiazepin-4-one IUPAC Name: 2-(4-fluorophenyl)-1-(3-methylbutanoyl)-7-(piperazine-1-carbonyl)-3,5-dihydro-2H-1,5-benzodiazepin-4-one Traditional Name: 2-(4-fluorophenyl)-1-isovaleryl-7-(piperazine-1-carbonyl)-3,5-dihydro-2H-1,5-benzodiazepin-4-one Formula: C25H29FN4O3 MolecularWeight: 452.521163

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29FN4O3/c1-16(2)13-24(32)30-21-8-5-18(25(33)29-11-9-27-10-12-29)14-20(21)28-23(31)15-22(30)17-3-6-19(26)7-4-17/h3-8,14,16,22,27H,9-13,15H2,1-2H3,(H,28,31)