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

Systemtic Name: 2-butyl-3-(4-chlorophenyl)-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-d]azepine Openeye Name: 2-butyl-3-(4-chlorophenyl)-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-d]azepine CAS Name: 2-butyl-3-(4-chlorophenyl)-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-d]azepine IUPAC Name: 2-butyl-3-(4-chlorophenyl)-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-d]azepine Traditional Name: 2-butyl-3-(4-chlorophenyl)-5,6,7,8-tetrahydro-4H-pyrazol[3,4-d]azepine Formula: C17H22ClN3 MolecularWeight: 303.82968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C2CCNCCC2=N1)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCCCN1C(=C2CCNCCC2=N1)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H22ClN3/c1-2-3-12-21-17(13-4-6-14(18)7-5-13)15-8-10-19-11-9-16(15)20-21/h4-7,19H,2-3,8-12H2,1H3