2-[3-(aminomethyl)-2-(2-methylpropyl)-1-oxidanylidene-4-phenyl-isoquinolin-6-yl]-1,3-thiazole-4-carbonitrile hydrochloride

Systemtic Name: 2-[3-(aminomethyl)-2-(2-methylpropyl)-1-oxidanylidene-4-phenyl-isoquinolin-6-yl]-1,3-thiazole-4-carbonitrile hydrochloride Openeye Name: 2-[3-(aminomethyl)-2-isobutyl-1-oxo-4-phenyl-6-isoquinolyl]thiazole-4-carbonitrile hydrochloride CAS Name: 2-[3-(aminomethyl)-2-(2-methylpropyl)-1-oxo-4-phenyl-6-isoquinolinyl]-4-thiazolecarbonitrile hydrochloride IUPAC Name: 2-[3-(aminomethyl)-2-(2-methylpropyl)-1-oxo-4-phenylisoquinolin-6-yl]-1,3-thiazole-4-carbonitrile hydrochloride Traditional Name: 2-[3-(aminomethyl)-2-isobutyl-1-keto-4-phenyl-6-isoquinolyl]thiazole-4-carbonitrile hydrochloride Formula: C24H23ClN4OS MolecularWeight: 450.98362

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=C(C2=C(C1=O)C=CC(=C2)C3=NC(=CS3)C#N)C4=CC=CC=C4)CN.Cl

Isomeric SMILES

CC(C)CN1C(=C(C2=C(C1=O)C=CC(=C2)C3=NC(=CS3)C#N)C4=CC=CC=C4)CN.Cl

InChI

InChI=1S/C24H22N4OS.ClH/c1-15(2)13-28-21(12-26)22(16-6-4-3-5-7-16)20-10-17(8-9-19(20)24(28)29)23-27-18(11-25)14-30-23;/h3-10,14-15H,12-13,26H2,1-2H3;1H