[5-[(phenylmethyl)amino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]-pyridin-4-yl-methanone

Systemtic Name: [5-[(phenylmethyl)amino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]-pyridin-4-yl-methanone Openeye Name: [5-(benzylamino)-3-(3-pyridyl)-1,2,4-triazol-1-yl]-(4-pyridyl)methanone CAS Name: [5-[(phenylmethyl)amino]-3-(3-pyridinyl)-1,2,4-triazol-1-yl]-pyridin-4-ylmethanone IUPAC Name: [5-(benzylamino)-3-pyridin-3-yl-1,2,4-triazol-1-yl]-pyridin-4-ylmethanone Traditional Name: [5-(benzylamino)-3-(3-pyridyl)-1,2,4-triazol-1-yl]-(4-pyridyl)methanone Formula: C20H16N6O MolecularWeight: 356.38064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=NC(=NN2C(=O)C3=CC=NC=C3)C4=CN=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CNC2=NC(=NN2C(=O)C3=CC=NC=C3)C4=CN=CC=C4

InChI

InChI=1S/C20H16N6O/c27-19(16-8-11-21-12-9-16)26-20(23-13-15-5-2-1-3-6-15)24-18(25-26)17-7-4-10-22-14-17/h1-12,14H,13H2,(H,23,24,25)