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

Systemtic Name: N-[3-[(1-azanylisoquinolin-7-yl)amino]-2-oxidanyl-3-oxidanylidene-1-phenyl-propyl]benzamide Openeye Name: N-[3-[(1-amino-7-isoquinolyl)amino]-2-hydroxy-3-oxo-1-phenyl-propyl]benzamide CAS Name: N-[3-[(1-amino-7-isoquinolinyl)amino]-2-hydroxy-3-oxo-1-phenylpropyl]benzamide IUPAC Name: N-[3-[(1-aminoisoquinolin-7-yl)amino]-2-hydroxy-3-oxo-1-phenylpropyl]benzamide Traditional Name: N-[3-[(1-amino-7-isoquinolyl)amino]-2-hydroxy-3-keto-1-phenyl-propyl]benzamide Formula: C25H22N4O3 MolecularWeight: 426.46718

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(C(=O)NC2=CC3=C(C=C2)C=CN=C3N)O)NC(=O)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C(C(C(=O)NC2=CC3=C(C=C2)C=CN=C3N)O)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H22N4O3/c26-23-20-15-19(12-11-16(20)13-14-27-23)28-25(32)22(30)21(17-7-3-1-4-8-17)29-24(31)18-9-5-2-6-10-18/h1-15,21-22,30H,(H2,26,27)(H,28,32)(H,29,31)