2-[3-(aminomethyl)-4-butoxy-2-(2-methylpropyl)-1-oxidanylidene-isoquinolin-6-yl]-4-methyl-1,3-thiazole-5-carboxamide hydrochloride

Systemtic Name: 2-[3-(aminomethyl)-4-butoxy-2-(2-methylpropyl)-1-oxidanylidene-isoquinolin-6-yl]-4-methyl-1,3-thiazole-5-carboxamide hydrochloride Openeye Name: 2-[3-(aminomethyl)-4-butoxy-2-isobutyl-1-oxo-6-isoquinolyl]-4-methyl-thiazole-5-carboxamide hydrochloride CAS Name: 2-[3-(aminomethyl)-4-butoxy-2-(2-methylpropyl)-1-oxo-6-isoquinolinyl]-4-methyl-5-thiazolecarboxamide hydrochloride IUPAC Name: 2-[3-(aminomethyl)-4-butoxy-2-(2-methylpropyl)-1-oxoisoquinolin-6-yl]-4-methyl-1,3-thiazole-5-carboxamide hydrochloride Traditional Name: 2-[3-(aminomethyl)-4-butoxy-2-isobutyl-1-keto-6-isoquinolyl]-4-methyl-thiazole-5-carboxamide hydrochloride Formula: C23H31ClN4O3S MolecularWeight: 479.03524

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(N(C(=O)C2=C1C=C(C=C2)C3=NC(=C(S3)C(=O)N)C)CC(C)C)CN.Cl

Isomeric SMILES

CCCCOC1=C(N(C(=O)C2=C1C=C(C=C2)C3=NC(=C(S3)C(=O)N)C)CC(C)C)CN.Cl

InChI

InChI=1S/C23H30N4O3S.ClH/c1-5-6-9-30-19-17-10-15(22-26-14(4)20(31-22)21(25)28)7-8-16(17)23(29)27(12-13(2)3)18(19)11-24;/h7-8,10,13H,5-6,9,11-12,24H2,1-4H3,(H2,25,28);1H