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

Systemtic Name: N-[3-chloranyl-4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]phenyl]pyridine-3-carboxamide Openeye Name: N-[3-chloro-4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]phenyl]pyridine-3-carboxamide CAS Name: N-[3-chloro-4-[4-(2,2-dimethyl-1-oxopropyl)-1-piperazinyl]phenyl]-3-pyridinecarboxamide IUPAC Name: N-[3-chloro-4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]phenyl]pyridine-3-carboxamide Traditional Name: N-[3-chloro-4-(4-pivaloylpiperazino)phenyl]nicotinamide Formula: C21H25ClN4O2 MolecularWeight: 400.9018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25ClN4O2/c1-21(2,3)20(28)26-11-9-25(10-12-26)18-7-6-16(13-17(18)22)24-19(27)15-5-4-8-23-14-15/h4-8,13-14H,9-12H2,1-3H3,(H,24,27)