N-[3-azanyl-2-(3-methoxypropyl)-4-(3-methylphenyl)-1-oxidanylidene-isoquinolin-7-yl]furan-2-carboxamide

Systemtic Name: N-[3-azanyl-2-(3-methoxypropyl)-4-(3-methylphenyl)-1-oxidanylidene-isoquinolin-7-yl]furan-2-carboxamide Openeye Name: N-[3-amino-2-(3-methoxypropyl)-4-(m-tolyl)-1-oxo-7-isoquinolyl]furan-2-carboxamide CAS Name: N-[3-amino-2-(3-methoxypropyl)-4-(3-methylphenyl)-1-oxo-7-isoquinolinyl]-2-furancarboxamide IUPAC Name: N-[3-amino-2-(3-methoxypropyl)-4-(3-methylphenyl)-1-oxoisoquinolin-7-yl]furan-2-carboxamide Traditional Name: N-[3-amino-1-keto-2-(3-methoxypropyl)-4-(m-tolyl)-7-isoquinolyl]-2-furamide Formula: C25H25N3O4 MolecularWeight: 431.4837

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=C(N(C(=O)C3=C2C=CC(=C3)NC(=O)C4=CC=CO4)CCCOC)N

Isomeric SMILES

CC1=CC=CC(=C1)C2=C(N(C(=O)C3=C2C=CC(=C3)NC(=O)C4=CC=CO4)CCCOC)N

InChI

InChI=1S/C25H25N3O4/c1-16-6-3-7-17(14-16)22-19-10-9-18(27-24(29)21-8-4-13-32-21)15-20(19)25(30)28(23(22)26)11-5-12-31-2/h3-4,6-10,13-15H,5,11-12,26H2,1-2H3,(H,27,29)