N-phenyl-N'-(pyridin-2-ylmethyl)-1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethane-1,2-diamine

Systemtic Name: N-phenyl-N'-(pyridin-2-ylmethyl)-1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethane-1,2-diamine Openeye Name: N-phenyl-N'-(2-pyridylmethyl)-1-[3-(4-pyridyl)-1H-1,2,4-triazol-5-yl]ethane-1,2-diamine CAS Name: N-phenyl-N'-(2-pyridinylmethyl)-1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethane-1,2-diamine IUPAC Name: N-phenyl-N'-(pyridin-2-ylmethyl)-1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethane-1,2-diamine Traditional Name: [2-anilino-2-[3-(4-pyridyl)-1H-1,2,4-triazol-5-yl]ethyl]-(2-pyridylmethyl)amine Formula: C21H21N7 MolecularWeight: 371.43834

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(CNCC2=CC=CC=N2)C3=NC(=NN3)C4=CC=NC=C4

Isomeric SMILES

C1=CC=C(C=C1)NC(CNCC2=CC=CC=N2)C3=NC(=NN3)C4=CC=NC=C4

InChI

InChI=1S/C21H21N7/c1-2-6-17(7-3-1)25-19(15-23-14-18-8-4-5-11-24-18)21-26-20(27-28-21)16-9-12-22-13-10-16/h1-13,19,23,25H,14-15H2,(H,26,27,28)