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

Systemtic Name: 1-(5-chloranyl-2-methoxy-phenyl)-3-cyclobutyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 1-(5-chloro-2-methoxy-phenyl)-3-cyclobutyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 1-(5-chloro-2-methoxyphenyl)-3-cyclobutyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 1-(5-chloro-2-methoxyphenyl)-3-cyclobutyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 1-(5-chloro-2-methoxy-phenyl)-3-cyclobutyl-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine Formula: C18H22ClN3O MolecularWeight: 331.83978

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)N2C3=NCCCCC3=C(N2)C4CCC4

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)N2C3=NCCCCC3=C(N2)C4CCC4

InChI

InChI=1S/C18H22ClN3O/c1-23-16-9-8-13(19)11-15(16)22-18-14(7-2-3-10-20-18)17(21-22)12-5-4-6-12/h8-9,11-12,21H,2-7,10H2,1H3