[2-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 4-oxidanylidene-3-propyl-phthalazine-1-carboxylate

Systemtic Name: [2-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 4-oxidanylidene-3-propyl-phthalazine-1-carboxylate Openeye Name: [2-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-oxo-ethyl] 4-oxo-3-propyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-propyl-1-phthalazinecarboxylic acid [2-(2,5-dimethyl-1-phenethyl-3-pyrrolyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethyl-1-phenethylpyrrol-3-yl)-2-oxoethyl] 4-oxo-3-propylphthalazine-1-carboxylate Traditional Name: 4-keto-3-propyl-phthalazine-1-carboxylic acid [2-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C28H29N3O4 MolecularWeight: 471.54756

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)C3=C(N(C(=C3)C)CCC4=CC=CC=C4)C

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)C3=C(N(C(=C3)C)CCC4=CC=CC=C4)C

InChI

InChI=1S/C28H29N3O4/c1-4-15-31-27(33)23-13-9-8-12-22(23)26(29-31)28(34)35-18-25(32)24-17-19(2)30(20(24)3)16-14-21-10-6-5-7-11-21/h5-13,17H,4,14-16,18H2,1-3H3