3-(aminomethyl)-4-butoxy-6,7-bis(chloranyl)-2-(2,2-dimethylpropyl)isoquinolin-1-one

Systemtic Name: 3-(aminomethyl)-4-butoxy-6,7-bis(chloranyl)-2-(2,2-dimethylpropyl)isoquinolin-1-one Openeye Name: 3-(aminomethyl)-4-butoxy-6,7-dichloro-2-(2,2-dimethylpropyl)isoquinolin-1-one CAS Name: 3-(aminomethyl)-4-butoxy-6,7-dichloro-2-(2,2-dimethylpropyl)-1-isoquinolinone IUPAC Name: 3-(aminomethyl)-4-butoxy-6,7-dichloro-2-(2,2-dimethylpropyl)isoquinolin-1-one Traditional Name: 3-(aminomethyl)-4-butoxy-6,7-dichloro-2-neopentyl-isocarbostyril Formula: C19H26Cl2N2O2 MolecularWeight: 385.32794

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(N(C(=O)C2=CC(=C(C=C21)Cl)Cl)CC(C)(C)C)CN

Isomeric SMILES

CCCCOC1=C(N(C(=O)C2=CC(=C(C=C21)Cl)Cl)CC(C)(C)C)CN

InChI

InChI=1S/C19H26Cl2N2O2/c1-5-6-7-25-17-12-8-14(20)15(21)9-13(12)18(24)23(16(17)10-22)11-19(2,3)4/h8-9H,5-7,10-11,22H2,1-4H3