[3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxidanylidene-propyl] 3-(1-methyl-4-oxidanylidene-quinazolin-2-yl)propanoate

Systemtic Name: [3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxidanylidene-propyl] 3-(1-methyl-4-oxidanylidene-quinazolin-2-yl)propanoate Openeye Name: [3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxo-propyl] 3-(1-methyl-4-oxo-quinazolin-2-yl)propanoate CAS Name: 3-(1-methyl-4-oxo-2-quinazolinyl)propanoic acid [3-cyano-3-(1,3-dimethyl-2-benzimidazolylidene)-2-oxopropyl] ester IUPAC Name: [3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxopropyl] 3-(1-methyl-4-oxoquinazolin-2-yl)propanoate Traditional Name: 3-(4-keto-1-methyl-quinazolin-2-yl)propionic acid [3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-keto-propyl] ester Formula: C25H23N5O4 MolecularWeight: 457.48122

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=O)N=C1CCC(=O)OCC(=O)C(=C3N(C4=CC=CC=C4N3C)C)C#N

Isomeric SMILES

CN1C2=CC=CC=C2C(=O)N=C1CCC(=O)OCC(=O)C(=C3N(C4=CC=CC=C4N3C)C)C#N

InChI

InChI=1S/C25H23N5O4/c1-28-18-9-5-4-8-16(18)24(33)27-22(28)12-13-23(32)34-15-21(31)17(14-26)25-29(2)19-10-6-7-11-20(19)30(25)3/h4-11H,12-13,15H2,1-3H3