3-(aminomethyl)-2-(2-methylpropyl)-6-(1,3-oxazol-5-yl)-4-phenyl-isoquinolin-1-one hydrochloride

Systemtic Name: 3-(aminomethyl)-2-(2-methylpropyl)-6-(1,3-oxazol-5-yl)-4-phenyl-isoquinolin-1-one hydrochloride Openeye Name: 3-(aminomethyl)-2-isobutyl-6-oxazol-5-yl-4-phenyl-isoquinolin-1-one hydrochloride CAS Name: 3-(aminomethyl)-2-(2-methylpropyl)-6-(5-oxazolyl)-4-phenyl-1-isoquinolinone hydrochloride IUPAC Name: 3-(aminomethyl)-2-(2-methylpropyl)-6-(1,3-oxazol-5-yl)-4-phenylisoquinolin-1-one hydrochloride Traditional Name: 3-(aminomethyl)-2-isobutyl-6-oxazol-5-yl-4-phenyl-isocarbostyril hydrochloride Formula: C23H24ClN3O2 MolecularWeight: 409.90856

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=C(C2=C(C1=O)C=CC(=C2)C3=CN=CO3)C4=CC=CC=C4)CN.Cl

Isomeric SMILES

CC(C)CN1C(=C(C2=C(C1=O)C=CC(=C2)C3=CN=CO3)C4=CC=CC=C4)CN.Cl

InChI

InChI=1S/C23H23N3O2.ClH/c1-15(2)13-26-20(11-24)22(16-6-4-3-5-7-16)19-10-17(21-12-25-14-28-21)8-9-18(19)23(26)27;/h3-10,12,14-15H,11,13,24H2,1-2H3;1H