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

Systemtic Name: 1-(5-chloranyl-2-methyl-phenyl)-3-phenyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 1-(5-chloro-2-methyl-phenyl)-3-phenyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 1-(5-chloro-2-methylphenyl)-3-phenyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 1-(5-chloro-2-methylphenyl)-3-phenyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 1-(5-chloro-2-methyl-phenyl)-3-phenyl-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine Formula: C20H20ClN3 MolecularWeight: 337.8459

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20ClN3/c1-14-10-11-16(21)13-18(14)24-20-17(9-5-6-12-22-20)19(23-24)15-7-3-2-4-8-15/h2-4,7-8,10-11,13,23H,5-6,9,12H2,1H3