N-[(7-bromanyl-1,3-benzodioxol-5-yl)methyl]-2-(4-pyrazol-1-ylphenyl)ethanamine

Systemtic Name: N-[(7-bromanyl-1,3-benzodioxol-5-yl)methyl]-2-(4-pyrazol-1-ylphenyl)ethanamine Openeye Name: N-[(7-bromo-1,3-benzodioxol-5-yl)methyl]-2-(4-pyrazol-1-ylphenyl)ethanamine CAS Name: N-[(7-bromo-1,3-benzodioxol-5-yl)methyl]-2-[4-(1-pyrazolyl)phenyl]ethanamine IUPAC Name: N-[(7-bromo-1,3-benzodioxol-5-yl)methyl]-2-(4-pyrazol-1-ylphenyl)ethanamine Traditional Name: (7-bromo-1,3-benzodioxol-5-yl)methyl-[2-(4-pyrazol-1-ylphenyl)ethyl]amine Formula: C19H18BrN3O2 MolecularWeight: 400.26912

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C(=CC(=C2)CNCCC3=CC=C(C=C3)N4C=CC=N4)Br

Isomeric SMILES

C1OC2=C(O1)C(=CC(=C2)CNCCC3=CC=C(C=C3)N4C=CC=N4)Br

InChI

InChI=1S/C19H18BrN3O2/c20-17-10-15(11-18-19(17)25-13-24-18)12-21-8-6-14-2-4-16(5-3-14)23-9-1-7-22-23/h1-5,7,9-11,21H,6,8,12-13H2