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

Systemtic Name: N-[3-[cyclohexyl-(4-methoxy-3-nitro-phenyl)carbonyl-amino]propyl]-4-oxidanylidene-1H-quinazoline-2-carboxamide Openeye Name: N-[3-[cyclohexyl-(4-methoxy-3-nitro-benzoyl)amino]propyl]-4-oxo-1H-quinazoline-2-carboxamide CAS Name: N-[3-[cyclohexyl-[(4-methoxy-3-nitrophenyl)-oxomethyl]amino]propyl]-4-oxo-1H-quinazoline-2-carboxamide IUPAC Name: N-[3-[cyclohexyl-(4-methoxy-3-nitrobenzoyl)amino]propyl]-4-oxo-1H-quinazoline-2-carboxamide Traditional Name: N-[3-[cyclohexyl-(4-methoxy-3-nitro-benzoyl)amino]propyl]-4-keto-1H-quinazoline-2-carboxamide Formula: C26H29N5O6 MolecularWeight: 507.53836

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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)C4CCCCC4)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N(CCCNC(=O)C2=NC(=O)C3=CC=CC=C3N2)C4CCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C26H29N5O6/c1-37-22-13-12-17(16-21(22)31(35)36)26(34)30(18-8-3-2-4-9-18)15-7-14-27-25(33)23-28-20-11-6-5-10-19(20)24(32)29-23/h5-6,10-13,16,18H,2-4,7-9,14-15H2,1H3,(H,27,33)(H,28,29,32)