3-[[1-[(2-chlorophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]methyl-methyl-amino]propanenitrile

Systemtic Name: 3-[[1-[(2-chlorophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]methyl-methyl-amino]propanenitrile Openeye Name: 3-[[1-[(2-chlorophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]methyl-methyl-amino]propanenitrile CAS Name: 3-[[1-[(2-chlorophenyl)methyl]-3,5-dimethyl-4-pyrazolyl]methyl-methylamino]propanenitrile IUPAC Name: 3-[[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl-methylamino]propanenitrile Traditional Name: 3-[[1-(2-chlorobenzyl)-3,5-dimethyl-pyrazol-4-yl]methyl-methyl-amino]propionitrile Formula: C17H21ClN4 MolecularWeight: 316.82844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2Cl)C)CN(C)CCC#N

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2Cl)C)CN(C)CCC#N

InChI

InChI=1S/C17H21ClN4/c1-13-16(12-21(3)10-6-9-19)14(2)22(20-13)11-15-7-4-5-8-17(15)18/h4-5,7-8H,6,10-12H2,1-3H3