N-[3-[2-(4-bromanylphenoxy)ethanoyl-(phenylmethyl)amino]propyl]-4-oxidanylidene-1H-quinazoline-2-carboxamide

Systemtic Name: N-[3-[2-(4-bromanylphenoxy)ethanoyl-(phenylmethyl)amino]propyl]-4-oxidanylidene-1H-quinazoline-2-carboxamide Openeye Name: N-[3-[benzyl-[2-(4-bromophenoxy)acetyl]amino]propyl]-4-oxo-1H-quinazoline-2-carboxamide CAS Name: N-[3-[[2-(4-bromophenoxy)-1-oxoethyl]-(phenylmethyl)amino]propyl]-4-oxo-1H-quinazoline-2-carboxamide IUPAC Name: N-[3-[benzyl-[2-(4-bromophenoxy)acetyl]amino]propyl]-4-oxo-1H-quinazoline-2-carboxamide Traditional Name: N-[3-[benzyl-[2-(4-bromophenoxy)acetyl]amino]propyl]-4-keto-1H-quinazoline-2-carboxamide Formula: C27H25BrN4O4 MolecularWeight: 549.4158

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CCCNC(=O)C2=NC(=O)C3=CC=CC=C3N2)C(=O)COC4=CC=C(C=C4)Br

Isomeric SMILES

C1=CC=C(C=C1)CN(CCCNC(=O)C2=NC(=O)C3=CC=CC=C3N2)C(=O)COC4=CC=C(C=C4)Br

InChI

InChI=1S/C27H25BrN4O4/c28-20-11-13-21(14-12-20)36-18-24(33)32(17-19-7-2-1-3-8-19)16-6-15-29-27(35)25-30-23-10-5-4-9-22(23)26(34)31-25/h1-5,7-14H,6,15-18H2,(H,29,35)(H,30,31,34)