6-[4-(2-ethylbutanoyl)-3-methyl-piperazin-1-yl]-N-(3-phenylpropyl)pyridine-3-carboxamide

Systemtic Name: 6-[4-(2-ethylbutanoyl)-3-methyl-piperazin-1-yl]-N-(3-phenylpropyl)pyridine-3-carboxamide Openeye Name: 6-[4-(2-ethylbutanoyl)-3-methyl-piperazin-1-yl]-N-(3-phenylpropyl)pyridine-3-carboxamide CAS Name: 6-[4-(2-ethyl-1-oxobutyl)-3-methyl-1-piperazinyl]-N-(3-phenylpropyl)-3-pyridinecarboxamide IUPAC Name: 6-[4-(2-ethylbutanoyl)-3-methylpiperazin-1-yl]-N-(3-phenylpropyl)pyridine-3-carboxamide Traditional Name: 6-[4-(2-ethylbutanoyl)-3-methyl-piperazino]-N-(3-phenylpropyl)nicotinamide Formula: C26H36N4O2 MolecularWeight: 436.58964

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)N1CCN(CC1C)C2=NC=C(C=C2)C(=O)NCCCC3=CC=CC=C3

Isomeric SMILES

CCC(CC)C(=O)N1CCN(CC1C)C2=NC=C(C=C2)C(=O)NCCCC3=CC=CC=C3

InChI

InChI=1S/C26H36N4O2/c1-4-22(5-2)26(32)30-17-16-29(19-20(30)3)24-14-13-23(18-28-24)25(31)27-15-9-12-21-10-7-6-8-11-21/h6-8,10-11,13-14,18,20,22H,4-5,9,12,15-17,19H2,1-3H3,(H,27,31)