N-(3-azanyl-2-cyclopropyl-1-oxidanylidene-4-phenyl-isoquinolin-7-yl)-2-methoxy-benzamide

Systemtic Name: N-(3-azanyl-2-cyclopropyl-1-oxidanylidene-4-phenyl-isoquinolin-7-yl)-2-methoxy-benzamide Openeye Name: N-(3-amino-2-cyclopropyl-1-oxo-4-phenyl-7-isoquinolyl)-2-methoxy-benzamide CAS Name: N-(3-amino-2-cyclopropyl-1-oxo-4-phenyl-7-isoquinolinyl)-2-methoxybenzamide IUPAC Name: N-(3-amino-2-cyclopropyl-1-oxo-4-phenylisoquinolin-7-yl)-2-methoxybenzamide Traditional Name: N-(3-amino-2-cyclopropyl-1-keto-4-phenyl-7-isoquinolyl)-2-methoxy-benzamide Formula: C26H23N3O3 MolecularWeight: 425.47912

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)NC2=CC3=C(C=C2)C(=C(N(C3=O)C4CC4)N)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=CC=C1C(=O)NC2=CC3=C(C=C2)C(=C(N(C3=O)C4CC4)N)C5=CC=CC=C5

InChI

InChI=1S/C26H23N3O3/c1-32-22-10-6-5-9-20(22)25(30)28-17-11-14-19-21(15-17)26(31)29(18-12-13-18)24(27)23(19)16-7-3-2-4-8-16/h2-11,14-15,18H,12-13,27H2,1H3,(H,28,30)