methyl 2-butyl-3-[3-(2-cyanophenyl)-4-oxidanylidene-quinazolin-7-yl]-1-methyl-2H-benzimidazole-4-carboxylate

Systemtic Name: methyl 2-butyl-3-[3-(2-cyanophenyl)-4-oxidanylidene-quinazolin-7-yl]-1-methyl-2H-benzimidazole-4-carboxylate Openeye Name: methyl 2-butyl-3-[3-(2-cyanophenyl)-4-oxo-quinazolin-7-yl]-1-methyl-2H-benzimidazole-4-carboxylate CAS Name: 2-butyl-3-[3-(2-cyanophenyl)-4-oxo-7-quinazolinyl]-1-methyl-2H-benzimidazole-4-carboxylic acid methyl ester IUPAC Name: methyl 2-butyl-3-[3-(2-cyanophenyl)-4-oxoquinazolin-7-yl]-1-methyl-2H-benzimidazole-4-carboxylate Traditional Name: 2-butyl-3-[3-(2-cyanophenyl)-4-keto-quinazolin-7-yl]-1-methyl-2H-benzimidazole-4-carboxylic acid methyl ester Formula: C29H27N5O3 MolecularWeight: 493.55638

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1N(C2=CC=CC(=C2N1C3=CC4=C(C=C3)C(=O)N(C=N4)C5=CC=CC=C5C#N)C(=O)OC)C

Isomeric SMILES

CCCCC1N(C2=CC=CC(=C2N1C3=CC4=C(C=C3)C(=O)N(C=N4)C5=CC=CC=C5C#N)C(=O)OC)C

InChI

InChI=1S/C29H27N5O3/c1-4-5-13-26-32(2)25-12-8-10-22(29(36)37-3)27(25)34(26)20-14-15-21-23(16-20)31-18-33(28(21)35)24-11-7-6-9-19(24)17-30/h6-12,14-16,18,26H,4-5,13H2,1-3H3