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

Systemtic Name: [2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 3-butyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl] 3-butyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-butyl-4-oxo-1-phthalazinecarboxylic acid [2-(1-ethyl-2,5-dimethyl-3-pyrrolyl)-2-oxoethyl] ester IUPAC Name: [2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 3-butyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-butyl-4-keto-phthalazine-1-carboxylic acid [2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C23H27N3O4 MolecularWeight: 409.47818

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)C3=C(N(C(=C3)C)CC)C

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)C3=C(N(C(=C3)C)CC)C

InChI

InChI=1S/C23H27N3O4/c1-5-7-12-26-22(28)18-11-9-8-10-17(18)21(24-26)23(29)30-14-20(27)19-13-15(3)25(6-2)16(19)4/h8-11,13H,5-7,12,14H2,1-4H3