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

Systemtic Name: 4-[(2-butyl-4-oxidanylidene-quinazolin-3-yl)methyl]-1-(2-cyanophenyl)indole-3-carboxylic acid Openeye Name: 4-[(2-butyl-4-oxo-quinazolin-3-yl)methyl]-1-(2-cyanophenyl)indole-3-carboxylic acid CAS Name: 4-[(2-butyl-4-oxo-3-quinazolinyl)methyl]-1-(2-cyanophenyl)-3-indolecarboxylic acid IUPAC Name: 4-[(2-butyl-4-oxoquinazolin-3-yl)methyl]-1-(2-cyanophenyl)indole-3-carboxylic acid Traditional Name: 4-[(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=C4C(=CC=C3)N(C=C4C(=O)O)C5=CC=CC=C5C#N

Isomeric SMILES

CCCCC1=NC2=CC=CC=C2C(=O)N1CC3=C4C(=CC=C3)N(C=C4C(=O)O)C5=CC=CC=C5C#N

InChI

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