N-[[5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]methyl]butan-1-amine

Systemtic Name: N-[[5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]methyl]butan-1-amine Openeye Name: N-[[5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]methyl]butan-1-amine CAS Name: N-[[5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]methyl]-1-butanamine IUPAC Name: N-[[5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]methyl]butan-1-amine Traditional Name: butyl-[[5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]methyl]amine Formula: C14H17Cl2N3 MolecularWeight: 298.21088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNCC1=C(NN=C1)C2=C(C=C(C=C2)Cl)Cl

Isomeric SMILES

CCCCNCC1=C(NN=C1)C2=C(C=C(C=C2)Cl)Cl

InChI

InChI=1S/C14H17Cl2N3/c1-2-3-6-17-8-10-9-18-19-14(10)12-5-4-11(15)7-13(12)16/h4-5,7,9,17H,2-3,6,8H2,1H3,(H,18,19)