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

Systemtic Name: N-[[1-[(2-chlorophenyl)methyl]-3-phenyl-pyrazol-4-yl]methyl]prop-2-yn-1-amine Openeye Name: N-[[1-[(2-chlorophenyl)methyl]-3-phenyl-pyrazol-4-yl]methyl]prop-2-yn-1-amine CAS Name: N-[[1-[(2-chlorophenyl)methyl]-3-phenyl-4-pyrazolyl]methyl]-2-propyn-1-amine IUPAC Name: N-[[1-[(2-chlorophenyl)methyl]-3-phenylpyrazol-4-yl]methyl]prop-2-yn-1-amine Traditional Name: [1-(2-chlorobenzyl)-3-phenyl-pyrazol-4-yl]methyl-propargyl-amine Formula: C20H18ClN3 MolecularWeight: 335.83002

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNCC1=CN(N=C1C2=CC=CC=C2)CC3=CC=CC=C3Cl

Isomeric SMILES

C#CCNCC1=CN(N=C1C2=CC=CC=C2)CC3=CC=CC=C3Cl

InChI

InChI=1S/C20H18ClN3/c1-2-12-22-13-18-15-24(14-17-10-6-7-11-19(17)21)23-20(18)16-8-4-3-5-9-16/h1,3-11,15,22H,12-14H2