[3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxidanylidene-propyl] 3-(3-methylbutyl)-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxidanylidene-propyl] 3-(3-methylbutyl)-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxo-propyl] 3-isopentyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-(3-methylbutyl)-4-oxo-1-phthalazinecarboxylic acid [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxopropyl] ester IUPAC Name: [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxopropyl] 3-(3-methylbutyl)-4-oxophthalazine-1-carboxylate Traditional Name: 3-isoamyl-4-keto-phthalazine-1-carboxylic acid [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-keto-propyl] ester Formula: C25H23N5O4 MolecularWeight: 457.48122

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)C(=C3NC4=CC=CC=C4N3)C#N

Isomeric SMILES

CC(C)CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)C(=C3NC4=CC=CC=C4N3)C#N

InChI

InChI=1S/C25H23N5O4/c1-15(2)11-12-30-24(32)17-8-4-3-7-16(17)22(29-30)25(33)34-14-21(31)18(13-26)23-27-19-9-5-6-10-20(19)28-23/h3-10,15,27-28H,11-12,14H2,1-2H3