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

Systemtic Name: 1-(5-chloranyl-2-methoxy-phenyl)-3-naphthalen-1-yl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 1-(5-chloro-2-methoxy-phenyl)-3-(1-naphthyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 1-(5-chloro-2-methoxyphenyl)-3-(1-naphthalenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 1-(5-chloro-2-methoxyphenyl)-3-naphthalen-1-yl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 1-(5-chloro-2-methoxy-phenyl)-3-(1-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=CC=CC5=CC=CC=C54

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)N2C3=NCCCCC3=C(N2)C4=CC=CC5=CC=CC=C54

InChI

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