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

Systemtic Name: N-[3-chloranyl-4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]pyridine-3-carboxamide Openeye Name: N-[3-chloro-4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]pyridine-3-carboxamide CAS Name: N-[3-chloro-4-[4-(3-methyl-1-oxobutyl)-1-piperazinyl]phenyl]-3-pyridinecarboxamide IUPAC Name: N-[3-chloro-4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]pyridine-3-carboxamide Traditional Name: N-[3-chloro-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=C(C=C(C=C2)NC(=O)C3=CN=CC=C3)Cl

Isomeric SMILES

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

InChI

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