[1-(diethylamino)-3-(5,6,7-trimethoxy-1-oxidanylidene-phthalazin-2-yl)propan-2-yl] (E)-3-phenylprop-2-enoate

Systemtic Name: [1-(diethylamino)-3-(5,6,7-trimethoxy-1-oxidanylidene-phthalazin-2-yl)propan-2-yl] (E)-3-phenylprop-2-enoate Openeye Name: [1-(diethylaminomethyl)-2-(5,6,7-trimethoxy-1-oxo-phthalazin-2-yl)ethyl] (E)-3-phenylprop-2-enoate CAS Name: (E)-3-phenyl-2-propenoic acid [1-(diethylamino)-3-(5,6,7-trimethoxy-1-oxo-2-phthalazinyl)propan-2-yl] ester IUPAC Name: [1-(diethylamino)-3-(5,6,7-trimethoxy-1-oxophthalazin-2-yl)propan-2-yl] (E)-3-phenylprop-2-enoate Traditional Name: (E)-3-phenylacrylic acid [1-(diethylaminomethyl)-2-(1-keto-5,6,7-trimethoxy-phthalazin-2-yl)ethyl] ester Formula: C27H33N3O6 MolecularWeight: 495.56742

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC(CN1C(=O)C2=CC(=C(C(=C2C=N1)OC)OC)OC)OC(=O)C=CC3=CC=CC=C3

Isomeric SMILES

CCN(CC)CC(CN1C(=O)C2=CC(=C(C(=C2C=N1)OC)OC)OC)OC(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C27H33N3O6/c1-6-29(7-2)17-20(36-24(31)14-13-19-11-9-8-10-12-19)18-30-27(32)21-15-23(33-3)26(35-5)25(34-4)22(21)16-28-30/h8-16,20H,6-7,17-18H2,1-5H3/b14-13+