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

Systemtic Name: 3-(aminomethyl)-4-butoxy-2-(cyclopropylmethyl)-6-(1,3-oxazol-5-yl)isoquinolin-1-one hydrochloride Openeye Name: 3-(aminomethyl)-4-butoxy-2-(cyclopropylmethyl)-6-oxazol-5-yl-isoquinolin-1-one hydrochloride CAS Name: 3-(aminomethyl)-4-butoxy-2-(cyclopropylmethyl)-6-(5-oxazolyl)-1-isoquinolinone hydrochloride IUPAC Name: 3-(aminomethyl)-4-butoxy-2-(cyclopropylmethyl)-6-(1,3-oxazol-5-yl)isoquinolin-1-one hydrochloride Traditional Name: 3-(aminomethyl)-4-butoxy-2-(cyclopropylmethyl)-6-oxazol-5-yl-isocarbostyril hydrochloride Formula: C21H26ClN3O3 MolecularWeight: 403.90244

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(N(C(=O)C2=C1C=C(C=C2)C3=CN=CO3)CC4CC4)CN.Cl

Isomeric SMILES

CCCCOC1=C(N(C(=O)C2=C1C=C(C=C2)C3=CN=CO3)CC4CC4)CN.Cl

InChI

InChI=1S/C21H25N3O3.ClH/c1-2-3-8-26-20-17-9-15(19-11-23-13-27-19)6-7-16(17)21(25)24(18(20)10-22)12-14-4-5-14;/h6-7,9,11,13-14H,2-5,8,10,12,22H2,1H3;1H