methyl 2-butyl-3-[[3-(2-cyanophenyl)-4-oxidanylidene-quinazolin-7-yl]methyl]benzimidazole-4-carboxylate

Systemtic Name: methyl 2-butyl-3-[[3-(2-cyanophenyl)-4-oxidanylidene-quinazolin-7-yl]methyl]benzimidazole-4-carboxylate Openeye Name: methyl 2-butyl-3-[[3-(2-cyanophenyl)-4-oxo-quinazolin-7-yl]methyl]benzimidazole-4-carboxylate CAS Name: 2-butyl-3-[[3-(2-cyanophenyl)-4-oxo-7-quinazolinyl]methyl]-4-benzimidazolecarboxylic acid methyl ester IUPAC Name: methyl 2-butyl-3-[[3-(2-cyanophenyl)-4-oxoquinazolin-7-yl]methyl]benzimidazole-4-carboxylate Traditional Name: 2-butyl-3-[[3-(2-cyanophenyl)-4-keto-quinazolin-7-yl]methyl]benzimidazole-4-carboxylic acid methyl ester Formula: C29H25N5O3 MolecularWeight: 491.5405

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=CC=CC(=C2N1CC3=CC4=C(C=C3)C(=O)N(C=N4)C5=CC=CC=C5C#N)C(=O)OC

Isomeric SMILES

CCCCC1=NC2=CC=CC(=C2N1CC3=CC4=C(C=C3)C(=O)N(C=N4)C5=CC=CC=C5C#N)C(=O)OC

InChI

InChI=1S/C29H25N5O3/c1-3-4-12-26-32-23-10-7-9-22(29(36)37-2)27(23)33(26)17-19-13-14-21-24(15-19)31-18-34(28(21)35)25-11-6-5-8-20(25)16-30/h5-11,13-15,18H,3-4,12,17H2,1-2H3