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

Systemtic Name: 3-(aminomethyl)-4,6-dibutoxy-2-(2,2-dimethylpropyl)isoquinolin-1-one Openeye Name: 3-(aminomethyl)-4,6-dibutoxy-2-(2,2-dimethylpropyl)isoquinolin-1-one CAS Name: 3-(aminomethyl)-4,6-dibutoxy-2-(2,2-dimethylpropyl)-1-isoquinolinone IUPAC Name: 3-(aminomethyl)-4,6-dibutoxy-2-(2,2-dimethylpropyl)isoquinolin-1-one Traditional Name: 3-(aminomethyl)-4,6-dibutoxy-2-neopentyl-isocarbostyril Formula: C23H36N2O3 MolecularWeight: 388.54354

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC2=C(C=C1)C(=O)N(C(=C2OCCCC)CN)CC(C)(C)C

Isomeric SMILES

CCCCOC1=CC2=C(C=C1)C(=O)N(C(=C2OCCCC)CN)CC(C)(C)C

InChI

InChI=1S/C23H36N2O3/c1-6-8-12-27-17-10-11-18-19(14-17)21(28-13-9-7-2)20(15-24)25(22(18)26)16-23(3,4)5/h10-11,14H,6-9,12-13,15-16,24H2,1-5H3