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

Systemtic Name: 2-(4-fluorophenyl)-1-(2-phenoxypropanoyl)-7-piperazin-1-ylcarbonyl-3,5-dihydro-2H-1,5-benzodiazepin-4-one Openeye Name: 2-(4-fluorophenyl)-1-(2-phenoxypropanoyl)-7-(piperazine-1-carbonyl)-3,5-dihydro-2H-1,5-benzodiazepin-4-one CAS Name: 2-(4-fluorophenyl)-1-(1-oxo-2-phenoxypropyl)-7-[oxo(1-piperazinyl)methyl]-3,5-dihydro-2H-1,5-benzodiazepin-4-one IUPAC Name: 2-(4-fluorophenyl)-1-(2-phenoxypropanoyl)-7-(piperazine-1-carbonyl)-3,5-dihydro-2H-1,5-benzodiazepin-4-one Traditional Name: 2-(4-fluorophenyl)-1-(2-phenoxypropanoyl)-7-(piperazine-1-carbonyl)-3,5-dihydro-2H-1,5-benzodiazepin-4-one Formula: C29H29FN4O4 MolecularWeight: 516.563363

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1C(CC(=O)NC2=C1C=CC(=C2)C(=O)N3CCNCC3)C4=CC=C(C=C4)F)OC5=CC=CC=C5

Isomeric SMILES

CC(C(=O)N1C(CC(=O)NC2=C1C=CC(=C2)C(=O)N3CCNCC3)C4=CC=C(C=C4)F)OC5=CC=CC=C5

InChI

InChI=1S/C29H29FN4O4/c1-19(38-23-5-3-2-4-6-23)28(36)34-25-12-9-21(29(37)33-15-13-31-14-16-33)17-24(25)32-27(35)18-26(34)20-7-10-22(30)11-8-20/h2-12,17,19,26,31H,13-16,18H2,1H3,(H,32,35)