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

Systemtic Name: 1-[2,5-bis(chloranyl)phenyl]-3-(5-chloranyl-2-methoxy-phenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 3-(5-chloro-2-methoxy-phenyl)-1-(2,5-dichlorophenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 3-(5-chloro-2-methoxyphenyl)-1-(2,5-dichlorophenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 3-(5-chloro-2-methoxyphenyl)-1-(2,5-dichlorophenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 3-(5-chloro-2-methoxy-phenyl)-1-(2,5-dichlorophenyl)-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine Formula: C20H18Cl3N3O MolecularWeight: 422.73542

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)C2=C3CCCCN=C3N(N2)C4=C(C=CC(=C4)Cl)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)C2=C3CCCCN=C3N(N2)C4=C(C=CC(=C4)Cl)Cl

InChI

InChI=1S/C20H18Cl3N3O/c1-27-18-8-6-12(21)10-15(18)19-14-4-2-3-9-24-20(14)26(25-19)17-11-13(22)5-7-16(17)23/h5-8,10-11,25H,2-4,9H2,1H3