ethyl 3-[3-(aminomethyl)-2-(2-methylpropyl)-1-oxidanylidene-4-phenyl-isoquinolin-6-yl]-1,2,4-oxadiazole-5-carboxylate

Systemtic Name: ethyl 3-[3-(aminomethyl)-2-(2-methylpropyl)-1-oxidanylidene-4-phenyl-isoquinolin-6-yl]-1,2,4-oxadiazole-5-carboxylate Openeye Name: ethyl 3-[3-(aminomethyl)-2-isobutyl-1-oxo-4-phenyl-6-isoquinolyl]-1,2,4-oxadiazole-5-carboxylate CAS Name: 3-[3-(aminomethyl)-2-(2-methylpropyl)-1-oxo-4-phenyl-6-isoquinolinyl]-1,2,4-oxadiazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[3-(aminomethyl)-2-(2-methylpropyl)-1-oxo-4-phenylisoquinolin-6-yl]-1,2,4-oxadiazole-5-carboxylate Traditional Name: 3-[3-(aminomethyl)-2-isobutyl-1-keto-4-phenyl-6-isoquinolyl]-1,2,4-oxadiazole-5-carboxylic acid ethyl ester Formula: C25H26N4O4 MolecularWeight: 446.49834

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NC(=NO1)C2=CC3=C(C=C2)C(=O)N(C(=C3C4=CC=CC=C4)CN)CC(C)C

Isomeric SMILES

CCOC(=O)C1=NC(=NO1)C2=CC3=C(C=C2)C(=O)N(C(=C3C4=CC=CC=C4)CN)CC(C)C

InChI

InChI=1S/C25H26N4O4/c1-4-32-25(31)23-27-22(28-33-23)17-10-11-18-19(12-17)21(16-8-6-5-7-9-16)20(13-26)29(24(18)30)14-15(2)3/h5-12,15H,4,13-14,26H2,1-3H3