N-[(E)-[3-(4-fluorophenyl)carbonyl-2-methyl-indolizin-1-yl]methylideneamino]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[(E)-[3-(4-fluorophenyl)carbonyl-2-methyl-indolizin-1-yl]methylideneamino]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[(E)-[3-(4-fluorobenzoyl)-2-methyl-indolizin-1-yl]methyleneamino]-1,3-benzodioxole-5-carboxamide CAS Name: N-[(E)-[3-[(4-fluorophenyl)-oxomethyl]-2-methyl-1-indolizinyl]methylideneamino]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[(E)-[3-(4-fluorobenzoyl)-2-methylindolizin-1-yl]methylideneamino]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[(E)-[3-(4-fluorobenzoyl)-2-methyl-indolizin-1-yl]methyleneamino]-piperonylamide Formula: C25H18FN3O4 MolecularWeight: 443.426523

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C=CC=CC2=C1C=NNC(=O)C3=CC4=C(C=C3)OCO4)C(=O)C5=CC=C(C=C5)F

Isomeric SMILES

CC1=C(N2C=CC=CC2=C1/C=N/NC(=O)C3=CC4=C(C=C3)OCO4)C(=O)C5=CC=C(C=C5)F

InChI

InChI=1S/C25H18FN3O4/c1-15-19(13-27-28-25(31)17-7-10-21-22(12-17)33-14-32-21)20-4-2-3-11-29(20)23(15)24(30)16-5-8-18(26)9-6-16/h2-13H,14H2,1H3,(H,28,31)/b27-13+