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

Systemtic Name: N-[3-[(4-methoxy-3-nitro-phenyl)carbonyl-(phenylmethyl)amino]propyl]-4-oxidanylidene-1H-quinazoline-2-carboxamide Openeye Name: N-[3-[benzyl-(4-methoxy-3-nitro-benzoyl)amino]propyl]-4-oxo-1H-quinazoline-2-carboxamide CAS Name: N-[3-[[(4-methoxy-3-nitrophenyl)-oxomethyl]-(phenylmethyl)amino]propyl]-4-oxo-1H-quinazoline-2-carboxamide IUPAC Name: N-[3-[benzyl-(4-methoxy-3-nitrobenzoyl)amino]propyl]-4-oxo-1H-quinazoline-2-carboxamide Traditional Name: N-[3-[benzyl-(4-methoxy-3-nitro-benzoyl)amino]propyl]-4-keto-1H-quinazoline-2-carboxamide Formula: C27H25N5O6 MolecularWeight: 515.5173

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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)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N(CCCNC(=O)C2=NC(=O)C3=CC=CC=C3N2)CC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C27H25N5O6/c1-38-23-13-12-19(16-22(23)32(36)37)27(35)31(17-18-8-3-2-4-9-18)15-7-14-28-26(34)24-29-21-11-6-5-10-20(21)25(33)30-24/h2-6,8-13,16H,7,14-15,17H2,1H3,(H,28,34)(H,29,30,33)