N-(5-butyl-1H-pyrazol-3-yl)-5-(3-phenoxyphenyl)-1,2,4-triazin-3-amine

Systemtic Name: N-(5-butyl-1H-pyrazol-3-yl)-5-(3-phenoxyphenyl)-1,2,4-triazin-3-amine Openeye Name: N-(5-butyl-1H-pyrazol-3-yl)-5-(3-phenoxyphenyl)-1,2,4-triazin-3-amine CAS Name: N-(5-butyl-1H-pyrazol-3-yl)-5-(3-phenoxyphenyl)-1,2,4-triazin-3-amine IUPAC Name: N-(5-butyl-1H-pyrazol-3-yl)-5-(3-phenoxyphenyl)-1,2,4-triazin-3-amine Traditional Name: (5-butyl-1H-pyrazol-3-yl)-[5-(3-phenoxyphenyl)-1,2,4-triazin-3-yl]amine Formula: C22H22N6O MolecularWeight: 386.44968

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=NN1)NC2=NC(=CN=N2)C3=CC(=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

CCCCC1=CC(=NN1)NC2=NC(=CN=N2)C3=CC(=CC=C3)OC4=CC=CC=C4

InChI

InChI=1S/C22H22N6O/c1-2-3-9-17-14-21(27-26-17)25-22-24-20(15-23-28-22)16-8-7-12-19(13-16)29-18-10-5-4-6-11-18/h4-8,10-15H,2-3,9H2,1H3,(H2,24,25,26,27,28)