N-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-3-(8-methyl-4-oxidanylidene-quinazolin-3-yl)propanamide

Systemtic Name: N-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-3-(8-methyl-4-oxidanylidene-quinazolin-3-yl)propanamide Openeye Name: N-[2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]-3-(8-methyl-4-oxo-quinazolin-3-yl)propanamide CAS Name: N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-(8-methyl-4-oxo-3-quinazolinyl)propanamide IUPAC Name: N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide Traditional Name: N-[2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]-3-(4-keto-8-methyl-quinazolin-3-yl)propionamide Formula: C21H21BrN4O3 MolecularWeight: 457.32044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=CN(C2=O)CCC(=O)NCC(=O)NC3=C(C=C(C=C3)Br)C

Isomeric SMILES

CC1=CC=CC2=C1N=CN(C2=O)CCC(=O)NCC(=O)NC3=C(C=C(C=C3)Br)C

InChI

InChI=1S/C21H21BrN4O3/c1-13-4-3-5-16-20(13)24-12-26(21(16)29)9-8-18(27)23-11-19(28)25-17-7-6-15(22)10-14(17)2/h3-7,10,12H,8-9,11H2,1-2H3,(H,23,27)(H,25,28)