5-(4-cyclopentylpiperazin-4-ium-1-yl)carbonyl-4-oxidanylidene-N-(phenylmethyl)-1-propan-2-yl-pyridine-3-carboxamide

Systemtic Name: 5-(4-cyclopentylpiperazin-4-ium-1-yl)carbonyl-4-oxidanylidene-N-(phenylmethyl)-1-propan-2-yl-pyridine-3-carboxamide Openeye Name: N-benzyl-5-(4-cyclopentylpiperazin-4-ium-1-carbonyl)-1-isopropyl-4-oxo-pyridine-3-carboxamide CAS Name: 5-[(4-cyclopentyl-1-piperazin-4-iumyl)-oxomethyl]-4-oxo-N-(phenylmethyl)-1-propan-2-yl-3-pyridinecarboxamide IUPAC Name: N-benzyl-5-(4-cyclopentylpiperazin-4-ium-1-carbonyl)-4-oxo-1-propan-2-ylpyridine-3-carboxamide Traditional Name: N-benzyl-5-(4-cyclopentylpiperazin-4-ium-1-carbonyl)-1-isopropyl-4-keto-nicotinamide Formula: C26H35N4O3+ MolecularWeight: 451.5811

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=C(C(=O)C(=C1)C(=O)N2CC[NH+](CC2)C3CCCC3)C(=O)NCC4=CC=CC=C4

Isomeric SMILES

CC(C)N1C=C(C(=O)C(=C1)C(=O)N2CC[NH+](CC2)C3CCCC3)C(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C26H34N4O3/c1-19(2)30-17-22(25(32)27-16-20-8-4-3-5-9-20)24(31)23(18-30)26(33)29-14-12-28(13-15-29)21-10-6-7-11-21/h3-5,8-9,17-19,21H,6-7,10-16H2,1-2H3,(H,27,32)/p+1