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

Systemtic Name: N-[3-[cyclohexyl-(2-methyl-3-nitro-phenyl)carbonyl-amino]propyl]-4-oxidanylidene-1H-quinazoline-2-carboxamide Openeye Name: N-[3-[cyclohexyl-(2-methyl-3-nitro-benzoyl)amino]propyl]-4-oxo-1H-quinazoline-2-carboxamide CAS Name: N-[3-[cyclohexyl-[(2-methyl-3-nitrophenyl)-oxomethyl]amino]propyl]-4-oxo-1H-quinazoline-2-carboxamide IUPAC Name: N-[3-[cyclohexyl-(2-methyl-3-nitrobenzoyl)amino]propyl]-4-oxo-1H-quinazoline-2-carboxamide Traditional Name: N-[3-[cyclohexyl-(2-methyl-3-nitro-benzoyl)amino]propyl]-4-keto-1H-quinazoline-2-carboxamide Formula: C26H29N5O5 MolecularWeight: 491.53896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)N(CCCNC(=O)C2=NC(=O)C3=CC=CC=C3N2)C4CCCCC4

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)N(CCCNC(=O)C2=NC(=O)C3=CC=CC=C3N2)C4CCCCC4

InChI

InChI=1S/C26H29N5O5/c1-17-19(12-7-14-22(17)31(35)36)26(34)30(18-9-3-2-4-10-18)16-8-15-27-25(33)23-28-21-13-6-5-11-20(21)24(32)29-23/h5-7,11-14,18H,2-4,8-10,15-16H2,1H3,(H,27,33)(H,28,29,32)