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

Systemtic Name: N-[3-[(4-bromophenyl)carbonyl-(phenylmethyl)amino]propyl]-4-oxidanylidene-1H-quinazoline-2-carboxamide Openeye Name: N-[3-[benzyl-(4-bromobenzoyl)amino]propyl]-4-oxo-1H-quinazoline-2-carboxamide CAS Name: N-[3-[[(4-bromophenyl)-oxomethyl]-(phenylmethyl)amino]propyl]-4-oxo-1H-quinazoline-2-carboxamide IUPAC Name: N-[3-[benzyl-(4-bromobenzoyl)amino]propyl]-4-oxo-1H-quinazoline-2-carboxamide Traditional Name: N-[3-[benzyl-(4-bromobenzoyl)amino]propyl]-4-keto-1H-quinazoline-2-carboxamide Formula: C26H23BrN4O3 MolecularWeight: 519.38982

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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)C4=CC=C(C=C4)Br

Isomeric SMILES

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

InChI

InChI=1S/C26H23BrN4O3/c27-20-13-11-19(12-14-20)26(34)31(17-18-7-2-1-3-8-18)16-6-15-28-25(33)23-29-22-10-5-4-9-21(22)24(32)30-23/h1-5,7-14H,6,15-17H2,(H,28,33)(H,29,30,32)