N-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-1-[1-(4-methoxyphenyl)-5-methyl-pyrazol-4-yl]ethanamine

Systemtic Name: N-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-1-[1-(4-methoxyphenyl)-5-methyl-pyrazol-4-yl]ethanamine Openeye Name: N-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-1-[1-(4-methoxyphenyl)-5-methyl-pyrazol-4-yl]ethanamine CAS Name: N-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-1-[1-(4-methoxyphenyl)-5-methyl-4-pyrazolyl]ethanamine IUPAC Name: N-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-1-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]ethanamine Traditional Name: (6-chloro-1,3-benzodioxol-5-yl)methyl-[1-[1-(4-methoxyphenyl)-5-methyl-pyrazol-4-yl]ethyl]amine Formula: C21H22ClN3O3 MolecularWeight: 399.87068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC=C(C=C2)OC)C(C)NCC3=CC4=C(C=C3Cl)OCO4

Isomeric SMILES

CC1=C(C=NN1C2=CC=C(C=C2)OC)C(C)NCC3=CC4=C(C=C3Cl)OCO4

InChI

InChI=1S/C21H22ClN3O3/c1-13(23-10-15-8-20-21(9-19(15)22)28-12-27-20)18-11-24-25(14(18)2)16-4-6-17(26-3)7-5-16/h4-9,11,13,23H,10,12H2,1-3H3