N-[4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]pyridine-3-carboxamide

Systemtic Name: N-[4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]pyridine-3-carboxamide Openeye Name: N-[4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]pyridine-3-carboxamide CAS Name: N-[4-[4-(3-methyl-1-oxobutyl)-1-piperazinyl]phenyl]-3-pyridinecarboxamide IUPAC Name: N-[4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]pyridine-3-carboxamide Traditional Name: N-[4-(4-isovalerylpiperazino)phenyl]nicotinamide Formula: C21H26N4O2 MolecularWeight: 366.45674

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CN=CC=C3

Isomeric SMILES

CC(C)CC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CN=CC=C3

InChI

InChI=1S/C21H26N4O2/c1-16(2)14-20(26)25-12-10-24(11-13-25)19-7-5-18(6-8-19)23-21(27)17-4-3-9-22-15-17/h3-9,15-16H,10-14H2,1-2H3,(H,23,27)