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

Systemtic Name: [3,5-bis[(phenylmethyl)amino]-1,2,4-triazol-1-yl]-pyridin-3-yl-methanone Openeye Name: [3,5-bis(benzylamino)-1,2,4-triazol-1-yl]-(3-pyridyl)methanone CAS Name: [3,5-bis[(phenylmethyl)amino]-1,2,4-triazol-1-yl]-(3-pyridinyl)methanone IUPAC Name: [3,5-bis(benzylamino)-1,2,4-triazol-1-yl]-pyridin-3-ylmethanone Traditional Name: [3,5-bis(benzylamino)-1,2,4-triazol-1-yl]-(3-pyridyl)methanone Formula: C22H20N6O MolecularWeight: 384.4338

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=NN(C(=N2)NCC3=CC=CC=C3)C(=O)C4=CN=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CNC2=NN(C(=N2)NCC3=CC=CC=C3)C(=O)C4=CN=CC=C4

InChI

InChI=1S/C22H20N6O/c29-20(19-12-7-13-23-16-19)28-22(25-15-18-10-5-2-6-11-18)26-21(27-28)24-14-17-8-3-1-4-9-17/h1-13,16H,14-15H2,(H2,24,25,26,27)