1-(2,4-dichlorophenyl)-3-(2,4-dimethoxyphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine

Systemtic Name: 1-(2,4-dichlorophenyl)-3-(2,4-dimethoxyphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 1-(2,4-dichlorophenyl)-3-(2,4-dimethoxyphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 1-(2,4-dichlorophenyl)-3-(2,4-dimethoxyphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 1-(2,4-dichlorophenyl)-3-(2,4-dimethoxyphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 1-(2,4-dichlorophenyl)-3-(2,4-dimethoxyphenyl)-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine Formula: C21H21Cl2N3O2 MolecularWeight: 418.31634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21Cl2N3O2/c1-27-14-7-8-15(19(12-14)28-2)20-16-5-3-4-10-24-21(16)26(25-20)18-9-6-13(22)11-17(18)23/h6-9,11-12,25H,3-5,10H2,1-2H3