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

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

Systemtic Name:2-[3-(aminomethyl)-4-butoxy-2-(2,2-dimethylpropyl)-1-oxidanylidene-isoquinolin-6-yl]ethanenitrile
Openeye Name:2-[3-(aminomethyl)-4-butoxy-2-(2,2-dimethylpropyl)-1-oxo-6-isoquinolyl]acetonitrile
CAS Name:2-[3-(aminomethyl)-4-butoxy-2-(2,2-dimethylpropyl)-1-oxo-6-isoquinolinyl]acetonitrile
IUPAC Name:2-[3-(aminomethyl)-4-butoxy-2-(2,2-dimethylpropyl)-1-oxoisoquinolin-6-yl]acetonitrile
Traditional Name:2-[3-(aminomethyl)-4-butoxy-1-keto-2-neopentyl-6-isoquinolyl]acetonitrile
Formula: C21H29N3O2
MolecularWeight: 355.47386
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C21H29N3O2/c1-5-6-11-26-19-17-12-15(9-10-22)7-8-16(17)20(25)24(18(19)13-23)14-21(2,3)4/h7-8,12H,5-6,9,11,13-14,23H2,1-4H3


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