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

Systemtic Name: N-[3-[(1-azanylisoquinolin-6-yl)amino]-2-oxidanyl-3-oxidanylidene-1-phenyl-propyl]-4-ethyl-benzamide Openeye Name: N-[3-[(1-amino-6-isoquinolyl)amino]-2-hydroxy-3-oxo-1-phenyl-propyl]-4-ethyl-benzamide CAS Name: N-[3-[(1-amino-6-isoquinolinyl)amino]-2-hydroxy-3-oxo-1-phenylpropyl]-4-ethylbenzamide IUPAC Name: N-[3-[(1-aminoisoquinolin-6-yl)amino]-2-hydroxy-3-oxo-1-phenylpropyl]-4-ethylbenzamide Traditional Name: N-[3-[(1-amino-6-isoquinolyl)amino]-2-hydroxy-3-keto-1-phenyl-propyl]-4-ethyl-benzamide Formula: C27H26N4O3 MolecularWeight: 454.52034

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=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

CCC1=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/C27H26N4O3/c1-2-17-8-10-19(11-9-17)26(33)31-23(18-6-4-3-5-7-18)24(32)27(34)30-21-12-13-22-20(16-21)14-15-29-25(22)28/h3-16,23-24,32H,2H2,1H3,(H2,28,29)(H,30,34)(H,31,33)