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

Systemtic Name: N-[3-[(1-azanylisoquinolin-7-yl)amino]-2-oxidanyl-3-oxidanylidene-1-phenyl-propyl]-4-pyrrol-1-yl-benzamide Openeye Name: N-[3-[(1-amino-7-isoquinolyl)amino]-2-hydroxy-3-oxo-1-phenyl-propyl]-4-pyrrol-1-yl-benzamide CAS Name: N-[3-[(1-amino-7-isoquinolinyl)amino]-2-hydroxy-3-oxo-1-phenylpropyl]-4-(1-pyrrolyl)benzamide IUPAC Name: N-[3-[(1-aminoisoquinolin-7-yl)amino]-2-hydroxy-3-oxo-1-phenylpropyl]-4-pyrrol-1-ylbenzamide Traditional Name: N-[3-[(1-amino-7-isoquinolyl)amino]-2-hydroxy-3-keto-1-phenyl-propyl]-4-pyrrol-1-yl-benzamide Formula: C29H25N5O3 MolecularWeight: 491.5405

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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=C(C=C4)N5C=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C(C(C(=O)NC2=CC3=C(C=C2)C=CN=C3N)O)NC(=O)C4=CC=C(C=C4)N5C=CC=C5

InChI

InChI=1S/C29H25N5O3/c30-27-24-18-22(11-8-19(24)14-15-31-27)32-29(37)26(35)25(20-6-2-1-3-7-20)33-28(36)21-9-12-23(13-10-21)34-16-4-5-17-34/h1-18,25-26,35H,(H2,30,31)(H,32,37)(H,33,36)