3-(aminomethyl)-7-ethoxy-2-(2-methylpropyl)-4-phenyl-isoquinolin-1-one hydrochloride

Systemtic Name: 3-(aminomethyl)-7-ethoxy-2-(2-methylpropyl)-4-phenyl-isoquinolin-1-one hydrochloride Openeye Name: 3-(aminomethyl)-7-ethoxy-2-isobutyl-4-phenyl-isoquinolin-1-one hydrochloride CAS Name: 3-(aminomethyl)-7-ethoxy-2-(2-methylpropyl)-4-phenyl-1-isoquinolinone hydrochloride IUPAC Name: 3-(aminomethyl)-7-ethoxy-2-(2-methylpropyl)-4-phenylisoquinolin-1-one hydrochloride Traditional Name: 3-(aminomethyl)-7-ethoxy-2-isobutyl-4-phenyl-isocarbostyril hydrochloride Formula: C22H27ClN2O2 MolecularWeight: 386.91498

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)C(=C(N(C2=O)CC(C)C)CN)C3=CC=CC=C3.Cl

Isomeric SMILES

CCOC1=CC2=C(C=C1)C(=C(N(C2=O)CC(C)C)CN)C3=CC=CC=C3.Cl

InChI

InChI=1S/C22H26N2O2.ClH/c1-4-26-17-10-11-18-19(12-17)22(25)24(14-15(2)3)20(13-23)21(18)16-8-6-5-7-9-16;/h5-12,15H,4,13-14,23H2,1-3H3;1H