(E)-3-[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-methoxy-phenyl]-N-(5-piperidin-1-ylisoquinolin-8-yl)prop-2-enamide

Systemtic Name: (E)-3-[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-methoxy-phenyl]-N-(5-piperidin-1-ylisoquinolin-8-yl)prop-2-enamide Openeye Name: (E)-3-[4-(2-amino-2-oxo-ethoxy)-3-methoxy-phenyl]-N-[5-(1-piperidyl)-8-isoquinolyl]prop-2-enamide CAS Name: (E)-3-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]-N-[5-(1-piperidinyl)-8-isoquinolinyl]-2-propenamide IUPAC Name: (E)-3-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]-N-(5-piperidin-1-ylisoquinolin-8-yl)prop-2-enamide Traditional Name: (E)-3-[4-(2-amino-2-keto-ethoxy)-3-methoxy-phenyl]-N-(5-piperidino-8-isoquinolyl)acrylamide Formula: C26H28N4O4 MolecularWeight: 460.52492

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC(=O)NC2=C3C=NC=CC3=C(C=C2)N4CCCCC4)OCC(=O)N

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C(=O)NC2=C3C=NC=CC3=C(C=C2)N4CCCCC4)OCC(=O)N

InChI

InChI=1S/C26H28N4O4/c1-33-24-15-18(5-9-23(24)34-17-25(27)31)6-10-26(32)29-21-7-8-22(30-13-3-2-4-14-30)19-11-12-28-16-20(19)21/h5-12,15-16H,2-4,13-14,17H2,1H3,(H2,27,31)(H,29,32)/b10-6+