N-[(4-bromanyl-2-methyl-phenyl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine

Systemtic Name: N-[(4-bromanyl-2-methyl-phenyl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine Openeye Name: N-[(4-bromo-2-methyl-phenyl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine CAS Name: N-[(4-bromo-2-methylphenyl)-(1-methyl-4-pyrazolyl)methyl]-1-propanamine IUPAC Name: N-[(4-bromo-2-methylphenyl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine Traditional Name: [(4-bromo-2-methyl-phenyl)-(1-methylpyrazol-4-yl)methyl]-propyl-amine Formula: C15H20BrN3 MolecularWeight: 322.2434

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(C1=C(C=C(C=C1)Br)C)C2=CN(N=C2)C

Isomeric SMILES

CCCNC(C1=C(C=C(C=C1)Br)C)C2=CN(N=C2)C

InChI

InChI=1S/C15H20BrN3/c1-4-7-17-15(12-9-18-19(3)10-12)14-6-5-13(16)8-11(14)2/h5-6,8-10,15,17H,4,7H2,1-3H3