methyl 4-[2-[1-[(4-bromophenyl)carbamoyl-phenethyl-amino]propyl]-4-oxidanylidene-quinazolin-3-yl]butanoate

Systemtic Name: methyl 4-[2-[1-[(4-bromophenyl)carbamoyl-phenethyl-amino]propyl]-4-oxidanylidene-quinazolin-3-yl]butanoate Openeye Name: methyl 4-[2-[1-[(4-bromophenyl)carbamoyl-phenethyl-amino]propyl]-4-oxo-quinazolin-3-yl]butanoate CAS Name: 4-[2-[1-[[(4-bromoanilino)-oxomethyl]-phenethylamino]propyl]-4-oxo-3-quinazolinyl]butanoic acid methyl ester IUPAC Name: methyl 4-[2-[1-[(4-bromophenyl)carbamoyl-phenethylamino]propyl]-4-oxoquinazolin-3-yl]butanoate Traditional Name: 4-[2-[1-[(4-bromophenyl)carbamoyl-phenethyl-amino]propyl]-4-keto-quinazolin-3-yl]butyric acid methyl ester Formula: C31H33BrN4O4 MolecularWeight: 605.52212

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=NC2=CC=CC=C2C(=O)N1CCCC(=O)OC)N(CCC3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)Br

Isomeric SMILES

CCC(C1=NC2=CC=CC=C2C(=O)N1CCCC(=O)OC)N(CCC3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)Br

InChI

InChI=1S/C31H33BrN4O4/c1-3-27(29-34-26-13-8-7-12-25(26)30(38)36(29)20-9-14-28(37)40-2)35(21-19-22-10-5-4-6-11-22)31(39)33-24-17-15-23(32)16-18-24/h4-8,10-13,15-18,27H,3,9,14,19-21H2,1-2H3,(H,33,39)