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

Systemtic Name: 3-(4-bromophenyl)-1-(4-chloranyl-2-methyl-phenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 3-(4-bromophenyl)-1-(4-chloro-2-methyl-phenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 3-(4-bromophenyl)-1-(4-chloro-2-methylphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 3-(4-bromophenyl)-1-(4-chloro-2-methylphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 3-(4-bromophenyl)-1-(4-chloro-2-methyl-phenyl)-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine Formula: C20H19BrClN3 MolecularWeight: 416.74196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19BrClN3/c1-13-12-16(22)9-10-18(13)25-20-17(4-2-3-11-23-20)19(24-25)14-5-7-15(21)8-6-14/h5-10,12,24H,2-4,11H2,1H3