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

Systemtic Name: 2-[3-(aminomethyl)-2-(2-methylpropyl)-1-oxidanylidene-4-phenyl-isoquinolin-6-yl]-4-methyl-1,3-thiazole-5-carbonitrile hydrochloride Openeye Name: 2-[3-(aminomethyl)-2-isobutyl-1-oxo-4-phenyl-6-isoquinolyl]-4-methyl-thiazole-5-carbonitrile hydrochloride CAS Name: 2-[3-(aminomethyl)-2-(2-methylpropyl)-1-oxo-4-phenyl-6-isoquinolinyl]-4-methyl-5-thiazolecarbonitrile hydrochloride IUPAC Name: 2-[3-(aminomethyl)-2-(2-methylpropyl)-1-oxo-4-phenylisoquinolin-6-yl]-4-methyl-1,3-thiazole-5-carbonitrile hydrochloride Traditional Name: 2-[3-(aminomethyl)-2-isobutyl-1-keto-4-phenyl-6-isoquinolyl]-4-methyl-thiazole-5-carbonitrile hydrochloride Formula: C25H25ClN4OS MolecularWeight: 465.0102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C2=CC3=C(C=C2)C(=O)N(C(=C3C4=CC=CC=C4)CN)CC(C)C)C#N.Cl

Isomeric SMILES

CC1=C(SC(=N1)C2=CC3=C(C=C2)C(=O)N(C(=C3C4=CC=CC=C4)CN)CC(C)C)C#N.Cl

InChI

InChI=1S/C25H24N4OS.ClH/c1-15(2)14-29-21(12-26)23(17-7-5-4-6-8-17)20-11-18(9-10-19(20)25(29)30)24-28-16(3)22(13-27)31-24;/h4-11,15H,12,14,26H2,1-3H3;1H