6-[3-[bis(phenylmethyl)amino]cyclobutyl]oxy-7-chloranyl-2H-isoquinolin-1-one

Systemtic Name: 6-[3-[bis(phenylmethyl)amino]cyclobutyl]oxy-7-chloranyl-2H-isoquinolin-1-one Openeye Name: 7-chloro-6-[3-(dibenzylamino)cyclobutoxy]-2H-isoquinolin-1-one CAS Name: 6-[3-[bis(phenylmethyl)amino]cyclobutyl]oxy-7-chloro-2H-isoquinolin-1-one IUPAC Name: 7-chloro-6-[3-(dibenzylamino)cyclobutyl]oxy-2H-isoquinolin-1-one Traditional Name: 7-chloro-6-[3-(dibenzylamino)cyclobutoxy]isocarbostyril Formula: C27H25ClN2O2 MolecularWeight: 444.9526

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CC1OC2=C(C=C3C(=C2)C=CNC3=O)Cl)N(CC4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

C1C(CC1OC2=C(C=C3C(=C2)C=CNC3=O)Cl)N(CC4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C27H25ClN2O2/c28-25-16-24-21(11-12-29-27(24)31)13-26(25)32-23-14-22(15-23)30(17-19-7-3-1-4-8-19)18-20-9-5-2-6-10-20/h1-13,16,22-23H,14-15,17-18H2,(H,29,31)