9-chloranyl-2-ethyl-11-phenyl-1,3,4,5-tetrahydroazepino[4,3-b]quinoline dihydrochloride

Systemtic Name: 9-chloranyl-2-ethyl-11-phenyl-1,3,4,5-tetrahydroazepino[4,3-b]quinoline dihydrochloride Openeye Name: 9-chloro-2-ethyl-11-phenyl-1,3,4,5-tetrahydroazepino[4,3-b]quinoline dihydrochloride CAS Name: 9-chloro-2-ethyl-11-phenyl-1,3,4,5-tetrahydroazepino[4,3-b]quinoline dihydrochloride IUPAC Name: 9-chloro-2-ethyl-11-phenyl-1,3,4,5-tetrahydroazepino[4,3-b]quinoline dihydrochloride Traditional Name: 9-chloro-2-ethyl-11-phenyl-1,3,4,5-tetrahydroazepino[4,3-b]quinoline dihydrochloride Formula: C21H23Cl3N2 MolecularWeight: 409.77972

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCCC2=C(C1)C(=C3C=C(C=CC3=N2)Cl)C4=CC=CC=C4.Cl.Cl

Isomeric SMILES

CCN1CCCC2=C(C1)C(=C3C=C(C=CC3=N2)Cl)C4=CC=CC=C4.Cl.Cl

InChI

InChI=1S/C21H21ClN2.2ClH/c1-2-24-12-6-9-19-18(14-24)21(15-7-4-3-5-8-15)17-13-16(22)10-11-20(17)23-19;;/h3-5,7-8,10-11,13H,2,6,9,12,14H2,1H3;2*1H