N-[2-[(2-bromophenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-4-(4-oxidanylidenequinazolin-3-yl)butanamide

Systemtic Name: N-[2-[(2-bromophenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-4-(4-oxidanylidenequinazolin-3-yl)butanamide Openeye Name: N-[2-(2-bromoanilino)-2-oxo-ethyl]-N-methyl-4-(4-oxoquinazolin-3-yl)butanamide CAS Name: N-[2-(2-bromoanilino)-2-oxoethyl]-N-methyl-4-(4-oxo-3-quinazolinyl)butanamide IUPAC Name: N-[2-(2-bromoanilino)-2-oxoethyl]-N-methyl-4-(4-oxoquinazolin-3-yl)butanamide Traditional Name: N-[2-(2-bromoanilino)-2-keto-ethyl]-4-(4-ketoquinazolin-3-yl)-N-methyl-butyramide Formula: C21H21BrN4O3 MolecularWeight: 457.32044

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1=CC=CC=C1Br)C(=O)CCCN2C=NC3=CC=CC=C3C2=O

Isomeric SMILES

CN(CC(=O)NC1=CC=CC=C1Br)C(=O)CCCN2C=NC3=CC=CC=C3C2=O

InChI

InChI=1S/C21H21BrN4O3/c1-25(13-19(27)24-18-10-5-3-8-16(18)22)20(28)11-6-12-26-14-23-17-9-4-2-7-15(17)21(26)29/h2-5,7-10,14H,6,11-13H2,1H3,(H,24,27)