7,9-bis(chloranyl)-6-(2-isoquinolin-5-yloxyethyl)-2,3,4,5-tetrahydro-1H-azepino[4,5-b]indole

Systemtic Name: 7,9-bis(chloranyl)-6-(2-isoquinolin-5-yloxyethyl)-2,3,4,5-tetrahydro-1H-azepino[4,5-b]indole Openeye Name: 7,9-dichloro-6-[2-(5-isoquinolyloxy)ethyl]-2,3,4,5-tetrahydro-1H-azepino[4,5-b]indole CAS Name: 7,9-dichloro-6-[2-(5-isoquinolinyloxy)ethyl]-2,3,4,5-tetrahydro-1H-azepino[4,5-b]indole IUPAC Name: 7,9-dichloro-6-(2-isoquinolin-5-yloxyethyl)-2,3,4,5-tetrahydro-1H-azepino[4,5-b]indole Traditional Name: 7,9-dichloro-6-[2-(5-isoquinolyloxy)ethyl]-2,3,4,5-tetrahydro-1H-azepin[4,5-b]indole Formula: C23H21Cl2N3O MolecularWeight: 426.33834

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC2=C1C3=CC(=CC(=C3N2CCOC4=CC=CC5=C4C=CN=C5)Cl)Cl

Isomeric SMILES

C1CNCCC2=C1C3=CC(=CC(=C3N2CCOC4=CC=CC5=C4C=CN=C5)Cl)Cl

InChI

InChI=1S/C23H21Cl2N3O/c24-16-12-19-18-5-7-26-9-6-21(18)28(23(19)20(25)13-16)10-11-29-22-3-1-2-15-14-27-8-4-17(15)22/h1-4,8,12-14,26H,5-7,9-11H2