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

Systemtic Name: methyl 4-[2-[1-[(3-bromophenyl)carbonyl-phenethyl-amino]propyl]-4-oxidanylidene-quinazolin-3-yl]butanoate Openeye Name: methyl 4-[2-[1-[(3-bromobenzoyl)-phenethyl-amino]propyl]-4-oxo-quinazolin-3-yl]butanoate CAS Name: 4-[2-[1-[[(3-bromophenyl)-oxomethyl]-phenethylamino]propyl]-4-oxo-3-quinazolinyl]butanoic acid methyl ester IUPAC Name: methyl 4-[2-[1-[(3-bromobenzoyl)-phenethylamino]propyl]-4-oxoquinazolin-3-yl]butanoate Traditional Name: 4-[2-[1-[(3-bromobenzoyl)-phenethyl-amino]propyl]-4-keto-quinazolin-3-yl]butyric acid methyl ester Formula: C31H32BrN3O4 MolecularWeight: 590.50748

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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)C4=CC(=CC=C4)Br

Isomeric SMILES

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

InChI

InChI=1S/C31H32BrN3O4/c1-3-27(29-33-26-16-8-7-15-25(26)31(38)35(29)19-10-17-28(36)39-2)34(20-18-22-11-5-4-6-12-22)30(37)23-13-9-14-24(32)21-23/h4-9,11-16,21,27H,3,10,17-20H2,1-2H3