5-[4-(4-fluorophenyl)piperazin-1-yl]carbonyl-4-oxidanylidene-1-(phenylmethyl)-N-prop-2-enyl-pyridine-3-carboxamide

Systemtic Name: 5-[4-(4-fluorophenyl)piperazin-1-yl]carbonyl-4-oxidanylidene-1-(phenylmethyl)-N-prop-2-enyl-pyridine-3-carboxamide Openeye Name: N-allyl-1-benzyl-5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-4-oxo-pyridine-3-carboxamide CAS Name: 5-[[4-(4-fluorophenyl)-1-piperazinyl]-oxomethyl]-4-oxo-1-(phenylmethyl)-N-prop-2-enyl-3-pyridinecarboxamide IUPAC Name: 1-benzyl-5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-4-oxo-N-prop-2-enylpyridine-3-carboxamide Traditional Name: N-allyl-1-benzyl-5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-4-keto-nicotinamide Formula: C27H27FN4O3 MolecularWeight: 474.526683

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)C1=CN(C=C(C1=O)C(=O)N2CCN(CC2)C3=CC=C(C=C3)F)CC4=CC=CC=C4

Isomeric SMILES

C=CCNC(=O)C1=CN(C=C(C1=O)C(=O)N2CCN(CC2)C3=CC=C(C=C3)F)CC4=CC=CC=C4

InChI

InChI=1S/C27H27FN4O3/c1-2-12-29-26(34)23-18-30(17-20-6-4-3-5-7-20)19-24(25(23)33)27(35)32-15-13-31(14-16-32)22-10-8-21(28)9-11-22/h2-11,18-19H,1,12-17H2,(H,29,34)