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

Systemtic Name: 1-(5-chloranyl-2-methoxy-phenyl)-3-cyclohexyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 1-(5-chloro-2-methoxy-phenyl)-3-cyclohexyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 1-(5-chloro-2-methoxyphenyl)-3-cyclohexyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 1-(5-chloro-2-methoxyphenyl)-3-cyclohexyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 1-(5-chloro-2-methoxy-phenyl)-3-cyclohexyl-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine Formula: C20H26ClN3O MolecularWeight: 359.89294

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)N2C3=NCCCCC3=C(N2)C4CCCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)N2C3=NCCCCC3=C(N2)C4CCCCC4

InChI

InChI=1S/C20H26ClN3O/c1-25-18-11-10-15(21)13-17(18)24-20-16(9-5-6-12-22-20)19(23-24)14-7-3-2-4-8-14/h10-11,13-14,23H,2-9,12H2,1H3