3-(4-chlorophenyl)-2-phenethyl-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-d]azepine

Systemtic Name: 3-(4-chlorophenyl)-2-phenethyl-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-d]azepine Openeye Name: 3-(4-chlorophenyl)-2-phenethyl-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-d]azepine CAS Name: 3-(4-chlorophenyl)-2-phenethyl-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-d]azepine IUPAC Name: 3-(4-chlorophenyl)-2-phenethyl-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-d]azepine Traditional Name: 3-(4-chlorophenyl)-2-phenethyl-5,6,7,8-tetrahydro-4H-pyrazol[3,4-d]azepine Formula: C21H22ClN3 MolecularWeight: 351.87248

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC2=NN(C(=C21)C3=CC=C(C=C3)Cl)CCC4=CC=CC=C4

Isomeric SMILES

C1CNCCC2=NN(C(=C21)C3=CC=C(C=C3)Cl)CCC4=CC=CC=C4

InChI

InChI=1S/C21H22ClN3/c22-18-8-6-17(7-9-18)21-19-10-13-23-14-11-20(19)24-25(21)15-12-16-4-2-1-3-5-16/h1-9,23H,10-15H2