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

Systemtic Name: 3-butyl-1-(5-chloranyl-2-methyl-phenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 3-butyl-1-(5-chloro-2-methyl-phenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 3-butyl-1-(5-chloro-2-methylphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 3-butyl-1-(5-chloro-2-methylphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 3-butyl-1-(5-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/c1-3-4-8-16-15-7-5-6-11-20-18(15)22(21-16)17-12-14(19)10-9-13(17)2/h9-10,12,21H,3-8,11H2,1-2H3