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

Systemtic Name: N-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-1-(5-methyl-1-phenyl-pyrazol-4-yl)ethanamine Openeye Name: N-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-1-(5-methyl-1-phenyl-pyrazol-4-yl)ethanamine CAS Name: N-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-1-(5-methyl-1-phenyl-4-pyrazolyl)ethanamine IUPAC Name: N-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-1-(5-methyl-1-phenylpyrazol-4-yl)ethanamine Traditional Name: (6-chloro-1,3-benzodioxol-5-yl)methyl-[1-(5-methyl-1-phenyl-pyrazol-4-yl)ethyl]amine Formula: C20H20ClN3O2 MolecularWeight: 369.8447

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20ClN3O2/c1-13(17-11-23-24(14(17)2)16-6-4-3-5-7-16)22-10-15-8-19-20(9-18(15)21)26-12-25-19/h3-9,11,13,22H,10,12H2,1-2H3