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

Systemtic Name: 2-[3-(aminomethyl)-2-(2-methylpropyl)-1-oxidanylidene-4-phenyl-isoquinolin-6-yl]-4-methyl-1,3-thiazole-5-carboxylic acid Openeye Name: 2-[3-(aminomethyl)-2-isobutyl-1-oxo-4-phenyl-6-isoquinolyl]-4-methyl-thiazole-5-carboxylic acid CAS Name: 2-[3-(aminomethyl)-2-(2-methylpropyl)-1-oxo-4-phenyl-6-isoquinolinyl]-4-methyl-5-thiazolecarboxylic acid IUPAC Name: 2-[3-(aminomethyl)-2-(2-methylpropyl)-1-oxo-4-phenylisoquinolin-6-yl]-4-methyl-1,3-thiazole-5-carboxylic acid Traditional Name: 2-[3-(aminomethyl)-2-isobutyl-1-keto-4-phenyl-6-isoquinolyl]-4-methyl-thiazole-5-carboxylic acid Formula: C25H25N3O3S MolecularWeight: 447.5493

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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(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C25H25N3O3S/c1-14(2)13-28-20(12-26)21(16-7-5-4-6-8-16)19-11-17(9-10-18(19)24(28)29)23-27-15(3)22(32-23)25(30)31/h4-11,14H,12-13,26H2,1-3H3,(H,30,31)