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

Systemtic Name: 1-(5-chloranyl-2-methoxy-phenyl)-3-naphthalen-2-yl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 1-(5-chloro-2-methoxy-phenyl)-3-(2-naphthyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 1-(5-chloro-2-methoxyphenyl)-3-(2-naphthalenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 1-(5-chloro-2-methoxyphenyl)-3-naphthalen-2-yl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 1-(5-chloro-2-methoxy-phenyl)-3-(2-naphthyl)-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine Formula: C24H22ClN3O MolecularWeight: 403.90398

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)N2C3=NCCCCC3=C(N2)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)N2C3=NCCCCC3=C(N2)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C24H22ClN3O/c1-29-22-12-11-19(25)15-21(22)28-24-20(8-4-5-13-26-24)23(27-28)18-10-9-16-6-2-3-7-17(16)14-18/h2-3,6-7,9-12,14-15,27H,4-5,8,13H2,1H3