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

Systemtic Name: 1-[2,5-bis(chloranyl)phenyl]-3-(2,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 1-(2,5-dichlorophenyl)-3-(2,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 1-(2,5-dichlorophenyl)-3-(2,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 1-(2,5-dichlorophenyl)-3-(2,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 1-(2,5-dichlorophenyl)-3-(2,5-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)OC)C2=C3CCCCN=C3N(N2)C4=C(C=CC(=C4)Cl)Cl

Isomeric SMILES

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

InChI

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