N-[[3-(2-methoxyphenyl)-1-(phenylmethyl)pyrazol-4-yl]methyl]prop-2-yn-1-amine

Systemtic Name: N-[[3-(2-methoxyphenyl)-1-(phenylmethyl)pyrazol-4-yl]methyl]prop-2-yn-1-amine Openeye Name: N-[[1-benzyl-3-(2-methoxyphenyl)pyrazol-4-yl]methyl]prop-2-yn-1-amine CAS Name: N-[[3-(2-methoxyphenyl)-1-(phenylmethyl)-4-pyrazolyl]methyl]-2-propyn-1-amine IUPAC Name: N-[[1-benzyl-3-(2-methoxyphenyl)pyrazol-4-yl]methyl]prop-2-yn-1-amine Traditional Name: [1-benzyl-3-(2-methoxyphenyl)pyrazol-4-yl]methyl-propargyl-amine Formula: C21H21N3O MolecularWeight: 331.41094

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NN(C=C2CNCC#C)CC3=CC=CC=C3

Isomeric SMILES

COC1=CC=CC=C1C2=NN(C=C2CNCC#C)CC3=CC=CC=C3

InChI

InChI=1S/C21H21N3O/c1-3-13-22-14-18-16-24(15-17-9-5-4-6-10-17)23-21(18)19-11-7-8-12-20(19)25-2/h1,4-12,16,22H,13-15H2,2H3