N-ethyl-5-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]carbonyl-1-(2-methylpropyl)-4-oxidanylidene-pyridine-3-carboxamide

Systemtic Name: N-ethyl-5-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]carbonyl-1-(2-methylpropyl)-4-oxidanylidene-pyridine-3-carboxamide Openeye Name: N-ethyl-5-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]-1-isobutyl-4-oxo-pyridine-3-carboxamide CAS Name: N-ethyl-5-[[4-[(3-fluorophenyl)methyl]-1-piperazinyl]-oxomethyl]-1-(2-methylpropyl)-4-oxo-3-pyridinecarboxamide IUPAC Name: N-ethyl-5-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]-1-(2-methylpropyl)-4-oxopyridine-3-carboxamide Traditional Name: N-ethyl-5-[4-(3-fluorobenzyl)piperazine-1-carbonyl]-1-isobutyl-4-keto-nicotinamide Formula: C24H31FN4O3 MolecularWeight: 442.526343

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1=CN(C=C(C1=O)C(=O)N2CCN(CC2)CC3=CC(=CC=C3)F)CC(C)C

Isomeric SMILES

CCNC(=O)C1=CN(C=C(C1=O)C(=O)N2CCN(CC2)CC3=CC(=CC=C3)F)CC(C)C

InChI

InChI=1S/C24H31FN4O3/c1-4-26-23(31)20-15-28(13-17(2)3)16-21(22(20)30)24(32)29-10-8-27(9-11-29)14-18-6-5-7-19(25)12-18/h5-7,12,15-17H,4,8-11,13-14H2,1-3H3,(H,26,31)