N-[3-[4-[(3-phenyl-1H-1,2,4-triazol-5-yl)methylamino]piperidin-1-yl]phenyl]pyridine-4-carboxamide

Systemtic Name: N-[3-[4-[(3-phenyl-1H-1,2,4-triazol-5-yl)methylamino]piperidin-1-yl]phenyl]pyridine-4-carboxamide Openeye Name: N-[3-[4-[(3-phenyl-1H-1,2,4-triazol-5-yl)methylamino]-1-piperidyl]phenyl]pyridine-4-carboxamide CAS Name: N-[3-[4-[(3-phenyl-1H-1,2,4-triazol-5-yl)methylamino]-1-piperidinyl]phenyl]-4-pyridinecarboxamide IUPAC Name: N-[3-[4-[(3-phenyl-1H-1,2,4-triazol-5-yl)methylamino]piperidin-1-yl]phenyl]pyridine-4-carboxamide Traditional Name: N-[3-[4-[(3-phenyl-1H-1,2,4-triazol-5-yl)methylamino]piperidino]phenyl]isonicotinamide Formula: C26H27N7O MolecularWeight: 453.53888

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NCC2=NC(=NN2)C3=CC=CC=C3)C4=CC(=CC=C4)NC(=O)C5=CC=NC=C5

Isomeric SMILES

C1CN(CCC1NCC2=NC(=NN2)C3=CC=CC=C3)C4=CC(=CC=C4)NC(=O)C5=CC=NC=C5

InChI

InChI=1S/C26H27N7O/c34-26(20-9-13-27-14-10-20)29-22-7-4-8-23(17-22)33-15-11-21(12-16-33)28-18-24-30-25(32-31-24)19-5-2-1-3-6-19/h1-10,13-14,17,21,28H,11-12,15-16,18H2,(H,29,34)(H,30,31,32)