1-(1,3-benzodioxol-5-yl)-N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]methanamine

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]methanamine Openeye Name: 1-(1,3-benzodioxol-5-yl)-N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]methanamine CAS Name: 1-(1,3-benzodioxol-5-yl)-N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]methanamine IUPAC Name: 1-(1,3-benzodioxol-5-yl)-N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]methanamine Traditional Name: [5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl-piperonyl-amine Formula: C18H16ClN3O2 MolecularWeight: 341.79154

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNCC3=C(NN=C3)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNCC3=C(NN=C3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C18H16ClN3O2/c19-15-4-2-13(3-5-15)18-14(10-21-22-18)9-20-8-12-1-6-16-17(7-12)24-11-23-16/h1-7,10,20H,8-9,11H2,(H,21,22)