3-(aminomethyl)-4-butoxy-6-chloranyl-2-propyl-isoquinolin-1-one

Systemtic Name: 3-(aminomethyl)-4-butoxy-6-chloranyl-2-propyl-isoquinolin-1-one Openeye Name: 3-(aminomethyl)-4-butoxy-6-chloro-2-propyl-isoquinolin-1-one CAS Name: 3-(aminomethyl)-4-butoxy-6-chloro-2-propyl-1-isoquinolinone IUPAC Name: 3-(aminomethyl)-4-butoxy-6-chloro-2-propylisoquinolin-1-one Traditional Name: 3-(aminomethyl)-4-butoxy-6-chloro-2-propyl-isocarbostyril Formula: C17H23ClN2O2 MolecularWeight: 322.82972

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(N(C(=O)C2=C1C=C(C=C2)Cl)CCC)CN

Isomeric SMILES

CCCCOC1=C(N(C(=O)C2=C1C=C(C=C2)Cl)CCC)CN

InChI

InChI=1S/C17H23ClN2O2/c1-3-5-9-22-16-14-10-12(18)6-7-13(14)17(21)20(8-4-2)15(16)11-19/h6-7,10H,3-5,8-9,11,19H2,1-2H3