N-[(1-phenylpyrazol-4-yl)methyl]cycloheptanamine

Systemtic Name: N-[(1-phenylpyrazol-4-yl)methyl]cycloheptanamine Openeye Name: N-[(1-phenylpyrazol-4-yl)methyl]cycloheptanamine CAS Name: N-[(1-phenyl-4-pyrazolyl)methyl]cycloheptanamine IUPAC Name: N-[(1-phenylpyrazol-4-yl)methyl]cycloheptanamine Traditional Name: cycloheptyl-[(1-phenylpyrazol-4-yl)methyl]amine Formula: C17H23N3 MolecularWeight: 269.38462

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NCC2=CN(N=C2)C3=CC=CC=C3

Isomeric SMILES

C1CCCC(CC1)NCC2=CN(N=C2)C3=CC=CC=C3

InChI

InChI=1S/C17H23N3/c1-2-5-9-16(8-4-1)18-12-15-13-19-20(14-15)17-10-6-3-7-11-17/h3,6-7,10-11,13-14,16,18H,1-2,4-5,8-9,12H2