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

Systemtic Name: 3-butyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxidanylidene-N-[(E)-3-phenylprop-2-enyl]phthalazine-1-carboxamide Openeye Name: 3-butyl-N-[(E)-cinnamyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-phthalazine-1-carboxamide CAS Name: 3-butyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-N-[(E)-3-phenylprop-2-enyl]-1-phthalazinecarboxamide IUPAC Name: 3-butyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-N-[(E)-3-phenylprop-2-enyl]phthalazine-1-carboxamide Traditional Name: 3-butyl-N-[(E)-cinnamyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-keto-phthalazine-1-carboxamide Formula: C30H29N3O4 MolecularWeight: 495.56896

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N(CC=CC3=CC=CC=C3)C4=CC5=C(C=C4)OCCO5

Isomeric SMILES

CCCCN1C(=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/C30H29N3O4/c1-2-3-18-33-29(34)25-14-8-7-13-24(25)28(31-33)30(35)32(17-9-12-22-10-5-4-6-11-22)23-15-16-26-27(21-23)37-20-19-36-26/h4-16,21H,2-3,17-20H2,1H3/b12-9+