N-[3-[(3-bromanyl-4-methoxy-phenyl)carbonyl-(phenylmethyl)amino]propyl]-4-oxidanylidene-1H-quinazoline-2-carboxamide

Systemtic Name: N-[3-[(3-bromanyl-4-methoxy-phenyl)carbonyl-(phenylmethyl)amino]propyl]-4-oxidanylidene-1H-quinazoline-2-carboxamide Openeye Name: N-[3-[benzyl-(3-bromo-4-methoxy-benzoyl)amino]propyl]-4-oxo-1H-quinazoline-2-carboxamide CAS Name: N-[3-[[(3-bromo-4-methoxyphenyl)-oxomethyl]-(phenylmethyl)amino]propyl]-4-oxo-1H-quinazoline-2-carboxamide IUPAC Name: N-[3-[benzyl-(3-bromo-4-methoxybenzoyl)amino]propyl]-4-oxo-1H-quinazoline-2-carboxamide Traditional Name: N-[3-[benzyl-(3-bromo-4-methoxy-benzoyl)amino]propyl]-4-keto-1H-quinazoline-2-carboxamide Formula: C27H25BrN4O4 MolecularWeight: 549.4158

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N(CCCNC(=O)C2=NC(=O)C3=CC=CC=C3N2)CC4=CC=CC=C4)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N(CCCNC(=O)C2=NC(=O)C3=CC=CC=C3N2)CC4=CC=CC=C4)Br

InChI

InChI=1S/C27H25BrN4O4/c1-36-23-13-12-19(16-21(23)28)27(35)32(17-18-8-3-2-4-9-18)15-7-14-29-26(34)24-30-22-11-6-5-10-20(22)25(33)31-24/h2-6,8-13,16H,7,14-15,17H2,1H3,(H,29,34)(H,30,31,33)