N-[[3-(3-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine

Systemtic Name: N-[[3-(3-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine Openeye Name: N-[[3-(3-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine CAS Name: N-[[3-(3-methoxyphenyl)-1-phenyl-4-pyrazolyl]methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine IUPAC Name: N-[[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine Traditional Name: [3-(3-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl-[1-(1H-1,2,4-triazol-5-yl)ethyl]amine Formula: C21H22N6O MolecularWeight: 374.43898

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC=NN1)NCC2=CN(N=C2C3=CC(=CC=C3)OC)C4=CC=CC=C4

Isomeric SMILES

CC(C1=NC=NN1)NCC2=CN(N=C2C3=CC(=CC=C3)OC)C4=CC=CC=C4

InChI

InChI=1S/C21H22N6O/c1-15(21-23-14-24-25-21)22-12-17-13-27(18-8-4-3-5-9-18)26-20(17)16-7-6-10-19(11-16)28-2/h3-11,13-15,22H,12H2,1-2H3,(H,23,24,25)