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

Systemtic Name: 1-(5-chloranyl-2-methoxy-phenyl)-3-pyridin-3-yl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 1-(5-chloro-2-methoxy-phenyl)-3-(3-pyridyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 1-(5-chloro-2-methoxyphenyl)-3-(3-pyridinyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 1-(5-chloro-2-methoxyphenyl)-3-pyridin-3-yl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 1-(5-chloro-2-methoxy-phenyl)-3-(3-pyridyl)-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine Formula: C19H19ClN4O MolecularWeight: 354.83336

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)N2C3=NCCCCC3=C(N2)C4=CN=CC=C4

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)N2C3=NCCCCC3=C(N2)C4=CN=CC=C4

InChI

InChI=1S/C19H19ClN4O/c1-25-17-8-7-14(20)11-16(17)24-19-15(6-2-3-10-22-19)18(23-24)13-5-4-9-21-12-13/h4-5,7-9,11-12,23H,2-3,6,10H2,1H3