5-(7-chloranyl-1-phenylmethoxy-isoquinolin-6-yl)oxy-1-propyl-cyclooctan-1-amine

Systemtic Name: 5-(7-chloranyl-1-phenylmethoxy-isoquinolin-6-yl)oxy-1-propyl-cyclooctan-1-amine Openeye Name: 5-[(1-benzyloxy-7-chloro-6-isoquinolyl)oxy]-1-propyl-cyclooctanamine CAS Name: 5-[(7-chloro-1-phenylmethoxy-6-isoquinolinyl)oxy]-1-propyl-1-cyclooctanamine IUPAC Name: 5-(7-chloro-1-phenylmethoxyisoquinolin-6-yl)oxy-1-propylcyclooctan-1-amine Traditional Name: [5-[(1-benzoxy-7-chloro-6-isoquinolyl)oxy]-1-propyl-cyclooctyl]amine Formula: C27H33ClN2O2 MolecularWeight: 453.01612

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1(CCCC(CCC1)OC2=C(C=C3C(=C2)C=CN=C3OCC4=CC=CC=C4)Cl)N

Isomeric SMILES

CCCC1(CCCC(CCC1)OC2=C(C=C3C(=C2)C=CN=C3OCC4=CC=CC=C4)Cl)N

InChI

InChI=1S/C27H33ClN2O2/c1-2-13-27(29)14-6-10-22(11-7-15-27)32-25-17-21-12-16-30-26(23(21)18-24(25)28)31-19-20-8-4-3-5-9-20/h3-5,8-9,12,16-18,22H,2,6-7,10-11,13-15,19,29H2,1H3