N-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine

Systemtic Name: N-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine Openeye Name: N-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine CAS Name: N-[[1-methyl-3-(4-phenoxyphenyl)-4-pyrazolyl]methyl]-1-(1,2,4-triazol-1-yl)-2-propanamine IUPAC Name: N-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine Traditional Name: [1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl-[1-methyl-2-(1,2,4-triazol-1-yl)ethyl]amine Formula: C22H24N6O MolecularWeight: 388.46556

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C=NC=N1)NCC2=CN(N=C2C3=CC=C(C=C3)OC4=CC=CC=C4)C

Isomeric SMILES

CC(CN1C=NC=N1)NCC2=CN(N=C2C3=CC=C(C=C3)OC4=CC=CC=C4)C

InChI

InChI=1S/C22H24N6O/c1-17(13-28-16-23-15-25-28)24-12-19-14-27(2)26-22(19)18-8-10-21(11-9-18)29-20-6-4-3-5-7-20/h3-11,14-17,24H,12-13H2,1-2H3