6-chloranyl-N-[[4-(4-pyridin-4-ylpiperazin-1-yl)phenyl]methyl]pyridine-3-carboxamide

Systemtic Name: 6-chloranyl-N-[[4-(4-pyridin-4-ylpiperazin-1-yl)phenyl]methyl]pyridine-3-carboxamide Openeye Name: 6-chloro-N-[[4-[4-(4-pyridyl)piperazin-1-yl]phenyl]methyl]pyridine-3-carboxamide CAS Name: 6-chloro-N-[[4-(4-pyridin-4-yl-1-piperazinyl)phenyl]methyl]-3-pyridinecarboxamide IUPAC Name: 6-chloro-N-[[4-(4-pyridin-4-ylpiperazin-1-yl)phenyl]methyl]pyridine-3-carboxamide Traditional Name: 6-chloro-N-[4-[4-(4-pyridyl)piperazino]benzyl]nicotinamide Formula: C22H22ClN5O MolecularWeight: 407.89598

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)CNC(=O)C3=CN=C(C=C3)Cl)C4=CC=NC=C4

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)CNC(=O)C3=CN=C(C=C3)Cl)C4=CC=NC=C4

InChI

InChI=1S/C22H22ClN5O/c23-21-6-3-18(16-25-21)22(29)26-15-17-1-4-19(5-2-17)27-11-13-28(14-12-27)20-7-9-24-10-8-20/h1-10,16H,11-15H2,(H,26,29)