7-chloranyl-6-[5-[(phenylmethyl)amino]-5-propyl-cyclooctyl]oxy-2H-isoquinolin-1-one

Systemtic Name: 7-chloranyl-6-[5-[(phenylmethyl)amino]-5-propyl-cyclooctyl]oxy-2H-isoquinolin-1-one Openeye Name: 6-[5-(benzylamino)-5-propyl-cyclooctoxy]-7-chloro-2H-isoquinolin-1-one CAS Name: 7-chloro-6-[5-[(phenylmethyl)amino]-5-propylcyclooctyl]oxy-2H-isoquinolin-1-one IUPAC Name: 6-[5-(benzylamino)-5-propylcyclooctyl]oxy-7-chloro-2H-isoquinolin-1-one Traditional Name: 6-[5-(benzylamino)-5-propyl-cyclooctoxy]-7-chloro-isocarbostyril Formula: C27H33ClN2O2 MolecularWeight: 453.01612

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1(CCCC(CCC1)OC2=C(C=C3C(=C2)C=CNC3=O)Cl)NCC4=CC=CC=C4

Isomeric SMILES

CCCC1(CCCC(CCC1)OC2=C(C=C3C(=C2)C=CNC3=O)Cl)NCC4=CC=CC=C4

InChI

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