2-[4-[1-[(1-azanylisoquinolin-6-yl)amino]-2-oxidanylidene-ethyl]-2-ethoxy-phenoxy]propanamide

Systemtic Name: 2-[4-[1-[(1-azanylisoquinolin-6-yl)amino]-2-oxidanylidene-ethyl]-2-ethoxy-phenoxy]propanamide Openeye Name: 2-[4-[1-[(1-amino-6-isoquinolyl)amino]-2-oxo-ethyl]-2-ethoxy-phenoxy]propanamide CAS Name: 2-[4-[1-[(1-amino-6-isoquinolinyl)amino]-2-oxoethyl]-2-ethoxyphenoxy]propanamide IUPAC Name: 2-[4-[1-[(1-aminoisoquinolin-6-yl)amino]-2-oxoethyl]-2-ethoxyphenoxy]propanamide Traditional Name: 2-[4-[1-[(1-amino-6-isoquinolyl)amino]-2-keto-ethyl]-2-ethoxy-phenoxy]propionamide Formula: C22H24N4O4 MolecularWeight: 408.45036

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(C=O)NC2=CC3=C(C=C2)C(=NC=C3)N)OC(C)C(=O)N

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(C=O)NC2=CC3=C(C=C2)C(=NC=C3)N)OC(C)C(=O)N

InChI

InChI=1S/C22H24N4O4/c1-3-29-20-11-15(4-7-19(20)30-13(2)22(24)28)18(12-27)26-16-5-6-17-14(10-16)8-9-25-21(17)23/h4-13,18,26H,3H2,1-2H3,(H2,23,25)(H2,24,28)