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

Systemtic Name: methyl 3-[2-[1-[(3-bromophenyl)carbamoyl-phenethyl-amino]propyl]-4-oxidanylidene-quinazolin-3-yl]propanoate Openeye Name: methyl 3-[2-[1-[(3-bromophenyl)carbamoyl-phenethyl-amino]propyl]-4-oxo-quinazolin-3-yl]propanoate CAS Name: 3-[2-[1-[[(3-bromoanilino)-oxomethyl]-phenethylamino]propyl]-4-oxo-3-quinazolinyl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-[1-[(3-bromophenyl)carbamoyl-phenethylamino]propyl]-4-oxoquinazolin-3-yl]propanoate Traditional Name: 3-[2-[1-[(3-bromophenyl)carbamoyl-phenethyl-amino]propyl]-4-keto-quinazolin-3-yl]propionic acid methyl ester Formula: C30H31BrN4O4 MolecularWeight: 591.49554

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=NC2=CC=CC=C2C(=O)N1CCC(=O)OC)N(CCC3=CC=CC=C3)C(=O)NC4=CC(=CC=C4)Br

Isomeric SMILES

CCC(C1=NC2=CC=CC=C2C(=O)N1CCC(=O)OC)N(CCC3=CC=CC=C3)C(=O)NC4=CC(=CC=C4)Br

InChI

InChI=1S/C30H31BrN4O4/c1-3-26(28-33-25-15-8-7-14-24(25)29(37)35(28)19-17-27(36)39-2)34(18-16-21-10-5-4-6-11-21)30(38)32-23-13-9-12-22(31)20-23/h4-15,20,26H,3,16-19H2,1-2H3,(H,32,38)