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

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

Systemtic Name:3-(aminomethyl)-6-azanyl-4-butoxy-2-(2,2-dimethylpropyl)isoquinolin-1-one
Openeye Name:6-amino-3-(aminomethyl)-4-butoxy-2-(2,2-dimethylpropyl)isoquinolin-1-one
CAS Name:6-amino-3-(aminomethyl)-4-butoxy-2-(2,2-dimethylpropyl)-1-isoquinolinone
IUPAC Name:6-amino-3-(aminomethyl)-4-butoxy-2-(2,2-dimethylpropyl)isoquinolin-1-one
Traditional Name:6-amino-3-(aminomethyl)-4-butoxy-2-neopentyl-isocarbostyril
Formula: C19H29N3O2
MolecularWeight: 331.45246
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C19H29N3O2/c1-5-6-9-24-17-15-10-13(21)7-8-14(15)18(23)22(16(17)11-20)12-19(2,3)4/h7-8,10H,5-6,9,11-12,20-21H2,1-4H3


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