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

Systemtic Name: 3-butyl-1-(3-chlorophenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 3-butyl-1-(3-chlorophenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 3-butyl-1-(3-chlorophenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 3-butyl-1-(3-chlorophenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 3-butyl-1-(3-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=C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C17H22ClN3/c1-2-3-10-16-15-9-4-5-11-19-17(15)21(20-16)14-8-6-7-13(18)12-14/h6-8,12,20H,2-5,9-11H2,1H3