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

Systemtic Name: N-[2-(3-chlorophenyl)ethyl]-6-[4-(2-ethylbutanoyl)piperazin-1-yl]pyridine-3-carboxamide Openeye Name: N-[2-(3-chlorophenyl)ethyl]-6-[4-(2-ethylbutanoyl)piperazin-1-yl]pyridine-3-carboxamide CAS Name: N-[2-(3-chlorophenyl)ethyl]-6-[4-(2-ethyl-1-oxobutyl)-1-piperazinyl]-3-pyridinecarboxamide IUPAC Name: N-[2-(3-chlorophenyl)ethyl]-6-[4-(2-ethylbutanoyl)piperazin-1-yl]pyridine-3-carboxamide Traditional Name: N-[2-(3-chlorophenyl)ethyl]-6-[4-(2-ethylbutanoyl)piperazino]nicotinamide Formula: C24H31ClN4O2 MolecularWeight: 442.98154

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)N1CCN(CC1)C2=NC=C(C=C2)C(=O)NCCC3=CC(=CC=C3)Cl

Isomeric SMILES

CCC(CC)C(=O)N1CCN(CC1)C2=NC=C(C=C2)C(=O)NCCC3=CC(=CC=C3)Cl

InChI

InChI=1S/C24H31ClN4O2/c1-3-19(4-2)24(31)29-14-12-28(13-15-29)22-9-8-20(17-27-22)23(30)26-11-10-18-6-5-7-21(25)16-18/h5-9,16-17,19H,3-4,10-15H2,1-2H3,(H,26,30)