N-[3-[(1-azanylisoquinolin-7-yl)amino]-2-oxidanyl-3-oxidanylidene-1-phenyl-propyl]-5-methoxy-1H-indole-2-carboxamide

Systemtic Name: N-[3-[(1-azanylisoquinolin-7-yl)amino]-2-oxidanyl-3-oxidanylidene-1-phenyl-propyl]-5-methoxy-1H-indole-2-carboxamide Openeye Name: N-[3-[(1-amino-7-isoquinolyl)amino]-2-hydroxy-3-oxo-1-phenyl-propyl]-5-methoxy-1H-indole-2-carboxamide CAS Name: N-[3-[(1-amino-7-isoquinolinyl)amino]-2-hydroxy-3-oxo-1-phenylpropyl]-5-methoxy-1H-indole-2-carboxamide IUPAC Name: N-[3-[(1-aminoisoquinolin-7-yl)amino]-2-hydroxy-3-oxo-1-phenylpropyl]-5-methoxy-1H-indole-2-carboxamide Traditional Name: N-[3-[(1-amino-7-isoquinolyl)amino]-2-hydroxy-3-keto-1-phenyl-propyl]-5-methoxy-1H-indole-2-carboxamide Formula: C28H25N5O4 MolecularWeight: 495.5292

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)NC(=C2)C(=O)NC(C3=CC=CC=C3)C(C(=O)NC4=CC5=C(C=C4)C=CN=C5N)O

Isomeric SMILES

COC1=CC2=C(C=C1)NC(=C2)C(=O)NC(C3=CC=CC=C3)C(C(=O)NC4=CC5=C(C=C4)C=CN=C5N)O

InChI

InChI=1S/C28H25N5O4/c1-37-20-9-10-22-18(13-20)14-23(32-22)27(35)33-24(17-5-3-2-4-6-17)25(34)28(36)31-19-8-7-16-11-12-30-26(29)21(16)15-19/h2-15,24-25,32,34H,1H3,(H2,29,30)(H,31,36)(H,33,35)