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

Systemtic Name: N-[1-(3-chlorophenyl)propan-2-yl]-6-[4-(2-ethylbutanoyl)piperazin-1-yl]pyridine-3-carboxamide Openeye Name: N-[2-(3-chlorophenyl)-1-methyl-ethyl]-6-[4-(2-ethylbutanoyl)piperazin-1-yl]pyridine-3-carboxamide CAS Name: N-[1-(3-chlorophenyl)propan-2-yl]-6-[4-(2-ethyl-1-oxobutyl)-1-piperazinyl]-3-pyridinecarboxamide IUPAC Name: N-[1-(3-chlorophenyl)propan-2-yl]-6-[4-(2-ethylbutanoyl)piperazin-1-yl]pyridine-3-carboxamide Traditional Name: N-[2-(3-chlorophenyl)-1-methyl-ethyl]-6-[4-(2-ethylbutanoyl)piperazino]nicotinamide Formula: C25H33ClN4O2 MolecularWeight: 457.00812

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)N1CCN(CC1)C2=NC=C(C=C2)C(=O)NC(C)CC3=CC(=CC=C3)Cl

Isomeric SMILES

CCC(CC)C(=O)N1CCN(CC1)C2=NC=C(C=C2)C(=O)NC(C)CC3=CC(=CC=C3)Cl

InChI

InChI=1S/C25H33ClN4O2/c1-4-20(5-2)25(32)30-13-11-29(12-14-30)23-10-9-21(17-27-23)24(31)28-18(3)15-19-7-6-8-22(26)16-19/h6-10,16-18,20H,4-5,11-15H2,1-3H3,(H,28,31)