2-[5-(azepan-1-yl)-3-methyl-1-phenyl-pyrazol-4-yl]ethanamine

Systemtic Name: 2-[5-(azepan-1-yl)-3-methyl-1-phenyl-pyrazol-4-yl]ethanamine Openeye Name: 2-[5-(azepan-1-yl)-3-methyl-1-phenyl-pyrazol-4-yl]ethanamine CAS Name: 2-[5-(1-azepanyl)-3-methyl-1-phenyl-4-pyrazolyl]ethanamine IUPAC Name: 2-[5-(azepan-1-yl)-3-methyl-1-phenylpyrazol-4-yl]ethanamine Traditional Name: 2-[5-(azepan-1-yl)-3-methyl-1-phenyl-pyrazol-4-yl]ethylamine Formula: C18H26N4 MolecularWeight: 298.42584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1CCN)N2CCCCCC2)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1CCN)N2CCCCCC2)C3=CC=CC=C3

InChI

InChI=1S/C18H26N4/c1-15-17(11-12-19)18(21-13-7-2-3-8-14-21)22(20-15)16-9-5-4-6-10-16/h4-6,9-10H,2-3,7-8,11-14,19H2,1H3