N-[3-(aminomethyl)-4-butoxy-2-(2,2-dimethylpropyl)-1-oxidanylidene-isoquinolin-6-yl]ethanamide

Systemtic Name: N-[3-(aminomethyl)-4-butoxy-2-(2,2-dimethylpropyl)-1-oxidanylidene-isoquinolin-6-yl]ethanamide Openeye Name: N-[3-(aminomethyl)-4-butoxy-2-(2,2-dimethylpropyl)-1-oxo-6-isoquinolyl]acetamide CAS Name: N-[3-(aminomethyl)-4-butoxy-2-(2,2-dimethylpropyl)-1-oxo-6-isoquinolinyl]acetamide IUPAC Name: N-[3-(aminomethyl)-4-butoxy-2-(2,2-dimethylpropyl)-1-oxoisoquinolin-6-yl]acetamide Traditional Name: N-[3-(aminomethyl)-4-butoxy-1-keto-2-neopentyl-6-isoquinolyl]acetamide Formula: C21H31N3O3 MolecularWeight: 373.48914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31N3O3/c1-6-7-10-27-19-17-11-15(23-14(2)25)8-9-16(17)20(26)24(18(19)12-22)13-21(3,4)5/h8-9,11H,6-7,10,12-13,22H2,1-5H3,(H,23,25)