6-[4-[2-(2,4-dimethylphenyl)ethanoyl]piperazin-1-yl]-N-(3-methylbutyl)pyridine-3-carboxamide

Systemtic Name: 6-[4-[2-(2,4-dimethylphenyl)ethanoyl]piperazin-1-yl]-N-(3-methylbutyl)pyridine-3-carboxamide Openeye Name: 6-[4-[2-(2,4-dimethylphenyl)acetyl]piperazin-1-yl]-N-isopentyl-pyridine-3-carboxamide CAS Name: 6-[4-[2-(2,4-dimethylphenyl)-1-oxoethyl]-1-piperazinyl]-N-(3-methylbutyl)-3-pyridinecarboxamide IUPAC Name: 6-[4-[2-(2,4-dimethylphenyl)acetyl]piperazin-1-yl]-N-(3-methylbutyl)pyridine-3-carboxamide Traditional Name: 6-[4-[2-(2,4-dimethylphenyl)acetyl]piperazino]-N-isoamyl-nicotinamide Formula: C25H34N4O2 MolecularWeight: 422.56306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)CC(=O)N2CCN(CC2)C3=NC=C(C=C3)C(=O)NCCC(C)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)CC(=O)N2CCN(CC2)C3=NC=C(C=C3)C(=O)NCCC(C)C)C

InChI

InChI=1S/C25H34N4O2/c1-18(2)9-10-26-25(31)22-7-8-23(27-17-22)28-11-13-29(14-12-28)24(30)16-21-6-5-19(3)15-20(21)4/h5-8,15,17-18H,9-14,16H2,1-4H3,(H,26,31)