1-cyclopropyl-5-[4-[(3-fluorophenyl)methyl]piperazin-4-ium-1-yl]carbonyl-4-oxidanylidene-N-(phenylmethyl)pyridine-3-carboxamide

Systemtic Name: 1-cyclopropyl-5-[4-[(3-fluorophenyl)methyl]piperazin-4-ium-1-yl]carbonyl-4-oxidanylidene-N-(phenylmethyl)pyridine-3-carboxamide Openeye Name: N-benzyl-1-cyclopropyl-5-[4-[(3-fluorophenyl)methyl]piperazin-4-ium-1-carbonyl]-4-oxo-pyridine-3-carboxamide CAS Name: 1-cyclopropyl-5-[[4-[(3-fluorophenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]-4-oxo-N-(phenylmethyl)-3-pyridinecarboxamide IUPAC Name: N-benzyl-1-cyclopropyl-5-[4-[(3-fluorophenyl)methyl]piperazin-4-ium-1-carbonyl]-4-oxopyridine-3-carboxamide Traditional Name: N-benzyl-1-cyclopropyl-5-[4-(3-fluorobenzyl)piperazin-4-ium-1-carbonyl]-4-keto-nicotinamide Formula: C28H30FN4O3+ MolecularWeight: 489.561203

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C(=C2)C(=O)N3CC[NH+](CC3)CC4=CC(=CC=C4)F)C(=O)NCC5=CC=CC=C5

Isomeric SMILES

C1CC1N2C=C(C(=O)C(=C2)C(=O)N3CC[NH+](CC3)CC4=CC(=CC=C4)F)C(=O)NCC5=CC=CC=C5

InChI

InChI=1S/C28H29FN4O3/c29-22-8-4-7-21(15-22)17-31-11-13-32(14-12-31)28(36)25-19-33(23-9-10-23)18-24(26(25)34)27(35)30-16-20-5-2-1-3-6-20/h1-8,15,18-19,23H,9-14,16-17H2,(H,30,35)/p+1