N-[3-[(1-azanylisoquinolin-7-yl)amino]-2-oxidanyl-3-oxidanylidene-1-phenyl-propyl]-4-methoxy-benzamide

Systemtic Name: N-[3-[(1-azanylisoquinolin-7-yl)amino]-2-oxidanyl-3-oxidanylidene-1-phenyl-propyl]-4-methoxy-benzamide Openeye Name: N-[3-[(1-amino-7-isoquinolyl)amino]-2-hydroxy-3-oxo-1-phenyl-propyl]-4-methoxy-benzamide CAS Name: N-[3-[(1-amino-7-isoquinolinyl)amino]-2-hydroxy-3-oxo-1-phenylpropyl]-4-methoxybenzamide IUPAC Name: N-[3-[(1-aminoisoquinolin-7-yl)amino]-2-hydroxy-3-oxo-1-phenylpropyl]-4-methoxybenzamide Traditional Name: N-[3-[(1-amino-7-isoquinolyl)amino]-2-hydroxy-3-keto-1-phenyl-propyl]-4-methoxy-benzamide Formula: C26H24N4O4 MolecularWeight: 456.49316

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)NC(C2=CC=CC=C2)C(C(=O)NC3=CC4=C(C=C3)C=CN=C4N)O

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)NC(C2=CC=CC=C2)C(C(=O)NC3=CC4=C(C=C3)C=CN=C4N)O

InChI

InChI=1S/C26H24N4O4/c1-34-20-11-8-18(9-12-20)25(32)30-22(17-5-3-2-4-6-17)23(31)26(33)29-19-10-7-16-13-14-28-24(27)21(16)15-19/h2-15,22-23,31H,1H3,(H2,27,28)(H,29,33)(H,30,32)