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

Systemtic Name: 3-(aminomethyl)-4-butoxy-2-(2,2-dimethylpropyl)-6-prop-2-ynoxy-isoquinolin-1-one Openeye Name: 3-(aminomethyl)-4-butoxy-2-(2,2-dimethylpropyl)-6-prop-2-ynoxy-isoquinolin-1-one CAS Name: 3-(aminomethyl)-4-butoxy-2-(2,2-dimethylpropyl)-6-prop-2-ynoxy-1-isoquinolinone IUPAC Name: 3-(aminomethyl)-4-butoxy-2-(2,2-dimethylpropyl)-6-prop-2-ynoxyisoquinolin-1-one Traditional Name: 3-(aminomethyl)-4-butoxy-2-neopentyl-6-propargyloxy-isocarbostyril Formula: C22H30N2O3 MolecularWeight: 370.4852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N2O3/c1-6-8-12-27-20-18-13-16(26-11-7-2)9-10-17(18)21(25)24(19(20)14-23)15-22(3,4)5/h2,9-10,13H,6,8,11-12,14-15,23H2,1,3-5H3