N-[[5-chloranyl-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]methyl]-1-phenyl-methanamine

Systemtic Name: N-[[5-chloranyl-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]methyl]-1-phenyl-methanamine Openeye Name: N-[(5-chloro-1-isobutyl-3-methyl-pyrazol-4-yl)methyl]-1-phenyl-methanamine CAS Name: N-[[5-chloro-3-methyl-1-(2-methylpropyl)-4-pyrazolyl]methyl]-1-phenylmethanamine IUPAC Name: N-[[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]methyl]-1-phenylmethanamine Traditional Name: benzyl-[(5-chloro-1-isobutyl-3-methyl-pyrazol-4-yl)methyl]amine Formula: C16H22ClN3 MolecularWeight: 291.81898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1CNCC2=CC=CC=C2)Cl)CC(C)C

Isomeric SMILES

CC1=NN(C(=C1CNCC2=CC=CC=C2)Cl)CC(C)C

InChI

InChI=1S/C16H22ClN3/c1-12(2)11-20-16(17)15(13(3)19-20)10-18-9-14-7-5-4-6-8-14/h4-8,12,18H,9-11H2,1-3H3