3-(aminomethyl)-4-butoxy-2-(2,2-dimethylpropyl)-6-(2-methylpropoxy)isoquinolin-1-one

Systemtic Name: 3-(aminomethyl)-4-butoxy-2-(2,2-dimethylpropyl)-6-(2-methylpropoxy)isoquinolin-1-one Openeye Name: 3-(aminomethyl)-4-butoxy-2-(2,2-dimethylpropyl)-6-isobutoxy-isoquinolin-1-one CAS Name: 3-(aminomethyl)-4-butoxy-2-(2,2-dimethylpropyl)-6-(2-methylpropoxy)-1-isoquinolinone IUPAC Name: 3-(aminomethyl)-4-butoxy-2-(2,2-dimethylpropyl)-6-(2-methylpropoxy)isoquinolin-1-one Traditional Name: 3-(aminomethyl)-4-butoxy-6-isobutoxy-2-neopentyl-isocarbostyril Formula: C23H36N2O3 MolecularWeight: 388.54354

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(N(C(=O)C2=C1C=C(C=C2)OCC(C)C)CC(C)(C)C)CN

Isomeric SMILES

CCCCOC1=C(N(C(=O)C2=C1C=C(C=C2)OCC(C)C)CC(C)(C)C)CN

InChI

InChI=1S/C23H36N2O3/c1-7-8-11-27-21-19-12-17(28-14-16(2)3)9-10-18(19)22(26)25(20(21)13-24)15-23(4,5)6/h9-10,12,16H,7-8,11,13-15,24H2,1-6H3