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

Systemtic Name: 3-(2,4-dichlorophenyl)-1-(3-methylphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 3-(2,4-dichlorophenyl)-1-(m-tolyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 3-(2,4-dichlorophenyl)-1-(3-methylphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 3-(2,4-dichlorophenyl)-1-(3-methylphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 3-(2,4-dichlorophenyl)-1-(m-tolyl)-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine Formula: C20H19Cl2N3 MolecularWeight: 372.29096

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C3=NCCCCC3=C(N2)C4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

CC1=CC(=CC=C1)N2C3=NCCCCC3=C(N2)C4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C20H19Cl2N3/c1-13-5-4-6-15(11-13)25-20-17(7-2-3-10-23-20)19(24-25)16-9-8-14(21)12-18(16)22/h4-6,8-9,11-12,24H,2-3,7,10H2,1H3