2-[(2-butyl-4-oxidanylidene-quinazolin-3-yl)methyl]-1-(2-cyanophenyl)indole-3-carboxylic acid

Systemtic Name: 2-[(2-butyl-4-oxidanylidene-quinazolin-3-yl)methyl]-1-(2-cyanophenyl)indole-3-carboxylic acid Openeye Name: 2-[(2-butyl-4-oxo-quinazolin-3-yl)methyl]-1-(2-cyanophenyl)indole-3-carboxylic acid CAS Name: 2-[(2-butyl-4-oxo-3-quinazolinyl)methyl]-1-(2-cyanophenyl)-3-indolecarboxylic acid IUPAC Name: 2-[(2-butyl-4-oxoquinazolin-3-yl)methyl]-1-(2-cyanophenyl)indole-3-carboxylic acid Traditional Name: 2-[(2-butyl-4-keto-quinazolin-3-yl)methyl]-1-(2-cyanophenyl)indole-3-carboxylic acid Formula: C29H24N4O3 MolecularWeight: 476.52586

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=CC=CC=C2C(=O)N1CC3=C(C4=CC=CC=C4N3C5=CC=CC=C5C#N)C(=O)O

Isomeric SMILES

CCCCC1=NC2=CC=CC=C2C(=O)N1CC3=C(C4=CC=CC=C4N3C5=CC=CC=C5C#N)C(=O)O

InChI

InChI=1S/C29H24N4O3/c1-2-3-16-26-31-22-13-7-5-11-20(22)28(34)32(26)18-25-27(29(35)36)21-12-6-9-15-24(21)33(25)23-14-8-4-10-19(23)17-30/h4-15H,2-3,16,18H2,1H3,(H,35,36)