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

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxidanylidene-N-[(E)-3-phenylprop-2-enyl]-3-propyl-phthalazine-1-carboxamide Openeye Name: N-[(E)-cinnamyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-3-propyl-phthalazine-1-carboxamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-N-[(E)-3-phenylprop-2-enyl]-3-propyl-1-phthalazinecarboxamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-N-[(E)-3-phenylprop-2-enyl]-3-propylphthalazine-1-carboxamide Traditional Name: N-[(E)-cinnamyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-keto-3-propyl-phthalazine-1-carboxamide Formula: C29H27N3O4 MolecularWeight: 481.54238

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N(CC=CC3=CC=CC=C3)C4=CC5=C(C=C4)OCCO5

Isomeric SMILES

CCCN1C(=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/C29H27N3O4/c1-2-16-32-28(33)24-13-7-6-12-23(24)27(30-32)29(34)31(17-8-11-21-9-4-3-5-10-21)22-14-15-25-26(20-22)36-19-18-35-25/h3-15,20H,2,16-19H2,1H3/b11-8+