N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-4-oxidanylidene-N-[(E)-3-phenylprop-2-enyl]phthalazine-1-carboxamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-4-oxidanylidene-N-[(E)-3-phenylprop-2-enyl]phthalazine-1-carboxamide Openeye Name: N-[(E)-cinnamyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-4-oxo-N-[(E)-3-phenylprop-2-enyl]-1-phthalazinecarboxamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-4-oxo-N-[(E)-3-phenylprop-2-enyl]phthalazine-1-carboxamide Traditional Name: N-[(E)-cinnamyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-keto-3-methyl-phthalazine-1-carboxamide Formula: C27H23N3O4 MolecularWeight: 453.48922

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N(CC=CC3=CC=CC=C3)C4=CC5=C(C=C4)OCCO5

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N(C/C=C/C3=CC=CC=C3)C4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C27H23N3O4/c1-29-26(31)22-12-6-5-11-21(22)25(28-29)27(32)30(15-7-10-19-8-3-2-4-9-19)20-13-14-23-24(18-20)34-17-16-33-23/h2-14,18H,15-17H2,1H3/b10-7+