6-chloranyl-N-[[3-[[(phenylmethyl)carbamoylamino]methyl]phenyl]methyl]pyridine-3-carboxamide

Systemtic Name: 6-chloranyl-N-[[3-[[(phenylmethyl)carbamoylamino]methyl]phenyl]methyl]pyridine-3-carboxamide Openeye Name: N-[[3-[(benzylcarbamoylamino)methyl]phenyl]methyl]-6-chloro-pyridine-3-carboxamide CAS Name: 6-chloro-N-[[3-[[[oxo-[(phenylmethyl)amino]methyl]amino]methyl]phenyl]methyl]-3-pyridinecarboxamide IUPAC Name: N-[[3-[(benzylcarbamoylamino)methyl]phenyl]methyl]-6-chloropyridine-3-carboxamide Traditional Name: N-[3-[(benzylcarbamoylamino)methyl]benzyl]-6-chloro-nicotinamide Formula: C22H21ClN4O2 MolecularWeight: 408.88074

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)NCC2=CC=CC(=C2)CNC(=O)C3=CN=C(C=C3)Cl

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)NCC2=CC=CC(=C2)CNC(=O)C3=CN=C(C=C3)Cl

InChI

InChI=1S/C22H21ClN4O2/c23-20-10-9-19(15-24-20)21(28)25-13-17-7-4-8-18(11-17)14-27-22(29)26-12-16-5-2-1-3-6-16/h1-11,15H,12-14H2,(H,25,28)(H2,26,27,29)