3-(azepan-1-ylcarbonyl)-1-butan-2-yl-5-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]carbonyl-pyridin-4-one

Systemtic Name: 3-(azepan-1-ylcarbonyl)-1-butan-2-yl-5-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]carbonyl-pyridin-4-one Openeye Name: 3-(azepane-1-carbonyl)-5-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]-1-sec-butyl-pyridin-4-one CAS Name: 3-[1-azepanyl(oxo)methyl]-1-butan-2-yl-5-[[4-[(3-fluorophenyl)methyl]-1-piperazinyl]-oxomethyl]-4-pyridinone IUPAC Name: 3-(azepane-1-carbonyl)-1-butan-2-yl-5-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]pyridin-4-one Traditional Name: 3-(azepane-1-carbonyl)-5-[4-(3-fluorobenzyl)piperazine-1-carbonyl]-1-sec-butyl-4-pyridone Formula: C28H37FN4O3 MolecularWeight: 496.616783

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C=C(C(=O)C(=C1)C(=O)N2CCN(CC2)CC3=CC(=CC=C3)F)C(=O)N4CCCCCC4

Isomeric SMILES

CCC(C)N1C=C(C(=O)C(=C1)C(=O)N2CCN(CC2)CC3=CC(=CC=C3)F)C(=O)N4CCCCCC4

InChI

InChI=1S/C28H37FN4O3/c1-3-21(2)33-19-24(27(35)31-11-6-4-5-7-12-31)26(34)25(20-33)28(36)32-15-13-30(14-16-32)18-22-9-8-10-23(29)17-22/h8-10,17,19-21H,3-7,11-16,18H2,1-2H3