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

Systemtic Name: 3-butyl-1-(3-chloranyl-2-methyl-phenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 3-butyl-1-(3-chloro-2-methyl-phenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 3-butyl-1-(3-chloro-2-methylphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 3-butyl-1-(3-chloro-2-methylphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 3-butyl-1-(3-chloro-2-methyl-phenyl)-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine Formula: C18H24ClN3 MolecularWeight: 317.85626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24ClN3/c1-3-4-10-16-14-8-5-6-12-20-18(14)22(21-16)17-11-7-9-15(19)13(17)2/h7,9,11,21H,3-6,8,10,12H2,1-2H3