4-[4-[(3-phenyl-1H-1,2,4-triazol-5-yl)methylamino]piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide

Systemtic Name: 4-[4-[(3-phenyl-1H-1,2,4-triazol-5-yl)methylamino]piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide Openeye Name: 4-[4-[(3-phenyl-1H-1,2,4-triazol-5-yl)methylamino]-1-piperidyl]-N-(3-pyridylmethyl)benzamide CAS Name: 4-[4-[(3-phenyl-1H-1,2,4-triazol-5-yl)methylamino]-1-piperidinyl]-N-(3-pyridinylmethyl)benzamide IUPAC Name: 4-[4-[(3-phenyl-1H-1,2,4-triazol-5-yl)methylamino]piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide Traditional Name: 4-[4-[(3-phenyl-1H-1,2,4-triazol-5-yl)methylamino]piperidino]-N-(3-pyridylmethyl)benzamide Formula: C27H29N7O MolecularWeight: 467.56546

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NCC2=NC(=NN2)C3=CC=CC=C3)C4=CC=C(C=C4)C(=O)NCC5=CN=CC=C5

Isomeric SMILES

C1CN(CCC1NCC2=NC(=NN2)C3=CC=CC=C3)C4=CC=C(C=C4)C(=O)NCC5=CN=CC=C5

InChI

InChI=1S/C27H29N7O/c35-27(30-18-20-5-4-14-28-17-20)22-8-10-24(11-9-22)34-15-12-23(13-16-34)29-19-25-31-26(33-32-25)21-6-2-1-3-7-21/h1-11,14,17,23,29H,12-13,15-16,18-19H2,(H,30,35)(H,31,32,33)