3-butyl-1-(2-chlorophenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine

Systemtic Name: 3-butyl-1-(2-chlorophenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 3-butyl-1-(2-chlorophenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 3-butyl-1-(2-chlorophenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 3-butyl-1-(2-chlorophenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 3-butyl-1-(2-chlorophenyl)-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine Formula: C17H22ClN3 MolecularWeight: 303.82968

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C2CCCCN=C2N(N1)C3=CC=CC=C3Cl

Isomeric SMILES

CCCCC1=C2CCCCN=C2N(N1)C3=CC=CC=C3Cl

InChI

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