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

Systemtic Name: 3-(aminomethyl)-4-butoxy-6-(cyclopropylmethoxy)-2-(2,2-dimethylpropyl)isoquinolin-1-one Openeye Name: 3-(aminomethyl)-4-butoxy-6-(cyclopropylmethoxy)-2-(2,2-dimethylpropyl)isoquinolin-1-one CAS Name: 3-(aminomethyl)-4-butoxy-6-(cyclopropylmethoxy)-2-(2,2-dimethylpropyl)-1-isoquinolinone IUPAC Name: 3-(aminomethyl)-4-butoxy-6-(cyclopropylmethoxy)-2-(2,2-dimethylpropyl)isoquinolin-1-one Traditional Name: 3-(aminomethyl)-4-butoxy-6-(cyclopropylmethoxy)-2-neopentyl-isocarbostyril Formula: C23H34N2O3 MolecularWeight: 386.52766

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(N(C(=O)C2=C1C=C(C=C2)OCC3CC3)CC(C)(C)C)CN

Isomeric SMILES

CCCCOC1=C(N(C(=O)C2=C1C=C(C=C2)OCC3CC3)CC(C)(C)C)CN

InChI

InChI=1S/C23H34N2O3/c1-5-6-11-27-21-19-12-17(28-14-16-7-8-16)9-10-18(19)22(26)25(20(21)13-24)15-23(2,3)4/h9-10,12,16H,5-8,11,13-15,24H2,1-4H3