N-[3-[(1-azanylisoquinolin-6-yl)amino]-2-oxidanyl-3-oxidanylidene-1-phenyl-propyl]-4-ethoxy-benzamide

Systemtic Name: N-[3-[(1-azanylisoquinolin-6-yl)amino]-2-oxidanyl-3-oxidanylidene-1-phenyl-propyl]-4-ethoxy-benzamide Openeye Name: N-[3-[(1-amino-6-isoquinolyl)amino]-2-hydroxy-3-oxo-1-phenyl-propyl]-4-ethoxy-benzamide CAS Name: N-[3-[(1-amino-6-isoquinolinyl)amino]-2-hydroxy-3-oxo-1-phenylpropyl]-4-ethoxybenzamide IUPAC Name: N-[3-[(1-aminoisoquinolin-6-yl)amino]-2-hydroxy-3-oxo-1-phenylpropyl]-4-ethoxybenzamide Traditional Name: N-[3-[(1-amino-6-isoquinolyl)amino]-2-hydroxy-3-keto-1-phenyl-propyl]-4-ethoxy-benzamide Formula: C27H26N4O4 MolecularWeight: 470.51974

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)NC(C2=CC=CC=C2)C(C(=O)NC3=CC4=C(C=C3)C(=NC=C4)N)O

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)NC(C2=CC=CC=C2)C(C(=O)NC3=CC4=C(C=C3)C(=NC=C4)N)O

InChI

InChI=1S/C27H26N4O4/c1-2-35-21-11-8-18(9-12-21)26(33)31-23(17-6-4-3-5-7-17)24(32)27(34)30-20-10-13-22-19(16-20)14-15-29-25(22)28/h3-16,23-24,32H,2H2,1H3,(H2,28,29)(H,30,34)(H,31,33)