(E)-3-(1,3-benzodioxol-5-yl)-N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]prop-2-enamide

Systemtic Name: (E)-3-(1,3-benzodioxol-5-yl)-N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]prop-2-enamide Openeye Name: (E)-3-(1,3-benzodioxol-5-yl)-N-[4-[6-(1-piperidyl)pyridazin-3-yl]phenyl]prop-2-enamide CAS Name: (E)-3-(1,3-benzodioxol-5-yl)-N-[4-[6-(1-piperidinyl)-3-pyridazinyl]phenyl]-2-propenamide IUPAC Name: (E)-3-(1,3-benzodioxol-5-yl)-N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]prop-2-enamide Traditional Name: (E)-3-(1,3-benzodioxol-5-yl)-N-[4-(6-piperidinopyridazin-3-yl)phenyl]acrylamide Formula: C25H24N4O3 MolecularWeight: 428.48306

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NN=C(C=C2)C3=CC=C(C=C3)NC(=O)C=CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CCN(CC1)C2=NN=C(C=C2)C3=CC=C(C=C3)NC(=O)/C=C/C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H24N4O3/c30-25(13-5-18-4-11-22-23(16-18)32-17-31-22)26-20-8-6-19(7-9-20)21-10-12-24(28-27-21)29-14-2-1-3-15-29/h4-13,16H,1-3,14-15,17H2,(H,26,30)/b13-5+