N-[[4-bromanyl-2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]ethanamine

Systemtic Name: N-[[4-bromanyl-2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]ethanamine Openeye Name: N-[[4-bromo-2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]ethanamine CAS Name: N-[[4-bromo-2-(3,5-dimethyl-1-pyrazolyl)phenyl]methyl]ethanamine IUPAC Name: N-[[4-bromo-2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]ethanamine Traditional Name: [4-bromo-2-(3,5-dimethylpyrazol-1-yl)benzyl]-ethyl-amine Formula: C14H18BrN3 MolecularWeight: 308.21682

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Descriptors Computed from Structure

Canonical SMILES:

CCNCC1=C(C=C(C=C1)Br)N2C(=CC(=N2)C)C

Isomeric SMILES

CCNCC1=C(C=C(C=C1)Br)N2C(=CC(=N2)C)C

InChI

InChI=1S/C14H18BrN3/c1-4-16-9-12-5-6-13(15)8-14(12)18-11(3)7-10(2)17-18/h5-8,16H,4,9H2,1-3H3