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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClN4/c22-17-7-4-16(5-8-17)21-19(14-10-12-24-13-11-14)20(25-26-21)15-2-1-3-18(23)9-6-15/h4-5,7-8,10-13,15,18H,1-3,6,9,23H2,(H,25,26)