[2-oxidanylidene-3-(1,3,3-trimethylindol-2-ylidene)propyl] 3-hexyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: [2-oxidanylidene-3-(1,3,3-trimethylindol-2-ylidene)propyl] 3-hexyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [2-oxo-3-(1,3,3-trimethylindolin-2-ylidene)propyl] 3-hexyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-hexyl-4-oxo-1-phthalazinecarboxylic acid [2-oxo-3-(1,3,3-trimethyl-2-indolylidene)propyl] ester IUPAC Name: [2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propyl] 3-hexyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-hexyl-4-keto-phthalazine-1-carboxylic acid [2-keto-3-(1,3,3-trimethylindolin-2-ylidene)propyl] ester Formula: C29H33N3O4 MolecularWeight: 487.59002

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)C=C3C(C4=CC=CC=C4N3C)(C)C

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)C=C3C(C4=CC=CC=C4N3C)(C)C

InChI

InChI=1S/C29H33N3O4/c1-5-6-7-12-17-32-27(34)22-14-9-8-13-21(22)26(30-32)28(35)36-19-20(33)18-25-29(2,3)23-15-10-11-16-24(23)31(25)4/h8-11,13-16,18H,5-7,12,17,19H2,1-4H3