(E)-N-isoquinolin-6-yl-3-[4-(1-phenylcyclopropyl)carbonylphenyl]prop-2-enamide

Systemtic Name: (E)-N-isoquinolin-6-yl-3-[4-(1-phenylcyclopropyl)carbonylphenyl]prop-2-enamide Openeye Name: (E)-N-(6-isoquinolyl)-3-[4-(1-phenylcyclopropanecarbonyl)phenyl]prop-2-enamide CAS Name: (E)-N-(6-isoquinolinyl)-3-[4-[oxo-(1-phenylcyclopropyl)methyl]phenyl]-2-propenamide IUPAC Name: (E)-N-isoquinolin-6-yl-3-[4-(1-phenylcyclopropanecarbonyl)phenyl]prop-2-enamide Traditional Name: (E)-N-(6-isoquinolyl)-3-[4-(1-phenylcyclopropanecarbonyl)phenyl]acrylamide Formula: C28H22N2O2 MolecularWeight: 418.48648

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1(C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)C=CC(=O)NC4=CC5=C(C=C4)C=NC=C5

Isomeric SMILES

C1CC1(C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)/C=C/C(=O)NC4=CC5=C(C=C4)C=NC=C5

InChI

InChI=1S/C28H22N2O2/c31-26(30-25-12-11-23-19-29-17-14-22(23)18-25)13-8-20-6-9-21(10-7-20)27(32)28(15-16-28)24-4-2-1-3-5-24/h1-14,17-19H,15-16H2,(H,30,31)/b13-8+