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

Systemtic Name: 1-(5-chloranyl-2-methyl-phenyl)-3-pyridin-4-yl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 1-(5-chloro-2-methyl-phenyl)-3-(4-pyridyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 1-(5-chloro-2-methylphenyl)-3-pyridin-4-yl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 1-(5-chloro-2-methylphenyl)-3-pyridin-4-yl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 1-(5-chloro-2-methyl-phenyl)-3-(4-pyridyl)-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine Formula: C19H19ClN4 MolecularWeight: 338.83396

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19ClN4/c1-13-5-6-15(20)12-17(13)24-19-16(4-2-3-9-22-19)18(23-24)14-7-10-21-11-8-14/h5-8,10-12,23H,2-4,9H2,1H3