N-(4-iodanyl-2-methyl-phenyl)-4-(2-methyl-4-oxidanylidene-quinazolin-3-yl)butanamide

Systemtic Name: N-(4-iodanyl-2-methyl-phenyl)-4-(2-methyl-4-oxidanylidene-quinazolin-3-yl)butanamide Openeye Name: N-(4-iodo-2-methyl-phenyl)-4-(2-methyl-4-oxo-quinazolin-3-yl)butanamide CAS Name: N-(4-iodo-2-methylphenyl)-4-(2-methyl-4-oxo-3-quinazolinyl)butanamide IUPAC Name: N-(4-iodo-2-methylphenyl)-4-(2-methyl-4-oxoquinazolin-3-yl)butanamide Traditional Name: N-(4-iodo-2-methyl-phenyl)-4-(4-keto-2-methyl-quinazolin-3-yl)butyramide Formula: C20H20IN3O2 MolecularWeight: 461.29617

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)I)NC(=O)CCCN2C(=NC3=CC=CC=C3C2=O)C

Isomeric SMILES

CC1=C(C=CC(=C1)I)NC(=O)CCCN2C(=NC3=CC=CC=C3C2=O)C

InChI

InChI=1S/C20H20IN3O2/c1-13-12-15(21)9-10-17(13)23-19(25)8-5-11-24-14(2)22-18-7-4-3-6-16(18)20(24)26/h3-4,6-7,9-10,12H,5,8,11H2,1-2H3,(H,23,25)