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

Systemtic Name: N-[[3-(3-methylphenyl)-1-(phenylmethyl)pyrazol-4-yl]methyl]prop-2-yn-1-amine Openeye Name: N-[[1-benzyl-3-(m-tolyl)pyrazol-4-yl]methyl]prop-2-yn-1-amine CAS Name: N-[[3-(3-methylphenyl)-1-(phenylmethyl)-4-pyrazolyl]methyl]-2-propyn-1-amine IUPAC Name: N-[[1-benzyl-3-(3-methylphenyl)pyrazol-4-yl]methyl]prop-2-yn-1-amine Traditional Name: [1-benzyl-3-(m-tolyl)pyrazol-4-yl]methyl-propargyl-amine Formula: C21H21N3 MolecularWeight: 315.41154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN(C=C2CNCC#C)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN(C=C2CNCC#C)CC3=CC=CC=C3

InChI

InChI=1S/C21H21N3/c1-3-12-22-14-20-16-24(15-18-9-5-4-6-10-18)23-21(20)19-11-7-8-17(2)13-19/h1,4-11,13,16,22H,12,14-15H2,2H3