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

Systemtic Name: 2-chloranyl-N-[4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]pyridine-3-carboxamide Openeye Name: 2-chloro-N-[4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]pyridine-3-carboxamide CAS Name: 2-chloro-N-[4-[4-(3-methyl-1-oxobutyl)-1-piperazinyl]phenyl]-3-pyridinecarboxamide IUPAC Name: 2-chloro-N-[4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]pyridine-3-carboxamide Traditional Name: 2-chloro-N-[4-(4-isovalerylpiperazino)phenyl]nicotinamide Formula: C21H25ClN4O2 MolecularWeight: 400.9018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25ClN4O2/c1-15(2)14-19(27)26-12-10-25(11-13-26)17-7-5-16(6-8-17)24-21(28)18-4-3-9-23-20(18)22/h3-9,15H,10-14H2,1-2H3,(H,24,28)