4-[3-(3-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]cycloheptan-1-amine

Systemtic Name: 4-[3-(3-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]cycloheptan-1-amine Openeye Name: 4-[3-(3-chlorophenyl)-4-(4-pyridyl)-1H-pyrazol-5-yl]cycloheptanamine CAS Name: 4-[3-(3-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-1-cycloheptanamine IUPAC Name: 4-[3-(3-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]cycloheptan-1-amine Traditional Name: [4-[3-(3-chlorophenyl)-4-(4-pyridyl)-1H-pyrazol-5-yl]cycloheptyl]amine Formula: C21H23ClN4 MolecularWeight: 366.88712

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC(C1)N)C2=C(C(=NN2)C3=CC(=CC=C3)Cl)C4=CC=NC=C4

Isomeric SMILES

C1CC(CCC(C1)N)C2=C(C(=NN2)C3=CC(=CC=C3)Cl)C4=CC=NC=C4

InChI

InChI=1S/C21H23ClN4/c22-17-5-1-4-16(13-17)21-19(14-9-11-24-12-10-14)20(25-26-21)15-3-2-6-18(23)8-7-15/h1,4-5,9-13,15,18H,2-3,6-8,23H2,(H,25,26)