(E)-N-[(4-oxidanylidene-3H-phthalazin-1-yl)methyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide

Systemtic Name: (E)-N-[(4-oxidanylidene-3H-phthalazin-1-yl)methyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide Openeye Name: (E)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide CAS Name: (E)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]-3-(3,4,5-trimethoxyphenyl)-2-propenamide IUPAC Name: (E)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide Traditional Name: (E)-N-[(4-keto-3H-phthalazin-1-yl)methyl]-3-(3,4,5-trimethoxyphenyl)acrylamide Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C=CC(=O)NCC2=NNC(=O)C3=CC=CC=C32

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)NCC2=NNC(=O)C3=CC=CC=C32

InChI

InChI=1S/C21H21N3O5/c1-27-17-10-13(11-18(28-2)20(17)29-3)8-9-19(25)22-12-16-14-6-4-5-7-15(14)21(26)24-23-16/h4-11H,12H2,1-3H3,(H,22,25)(H,24,26)/b9-8+