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

Systemtic Name: 3-butyl-1-(5-chloranyl-2-methoxy-phenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 3-butyl-1-(5-chloro-2-methoxy-phenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 3-butyl-1-(5-chloro-2-methoxyphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 3-butyl-1-(5-chloro-2-methoxyphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 3-butyl-1-(5-chloro-2-methoxy-phenyl)-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine Formula: C18H24ClN3O MolecularWeight: 333.85566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24ClN3O/c1-3-4-8-15-14-7-5-6-11-20-18(14)22(21-15)16-12-13(19)9-10-17(16)23-2/h9-10,12,21H,3-8,11H2,1-2H3