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

Systemtic Name: N-[3-[cyclohexyl-(2-nitrophenyl)carbonyl-amino]propyl]-4-oxidanylidene-1H-quinazoline-2-carboxamide Openeye Name: N-[3-[cyclohexyl-(2-nitrobenzoyl)amino]propyl]-4-oxo-1H-quinazoline-2-carboxamide CAS Name: N-[3-[cyclohexyl-[(2-nitrophenyl)-oxomethyl]amino]propyl]-4-oxo-1H-quinazoline-2-carboxamide IUPAC Name: N-[3-[cyclohexyl-(2-nitrobenzoyl)amino]propyl]-4-oxo-1H-quinazoline-2-carboxamide Traditional Name: N-[3-[cyclohexyl-(2-nitrobenzoyl)amino]propyl]-4-keto-1H-quinazoline-2-carboxamide Formula: C25H27N5O5 MolecularWeight: 477.51238

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N(CCCNC(=O)C2=NC(=O)C3=CC=CC=C3N2)C(=O)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)N(CCCNC(=O)C2=NC(=O)C3=CC=CC=C3N2)C(=O)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C25H27N5O5/c31-23-18-11-4-6-13-20(18)27-22(28-23)24(32)26-15-8-16-29(17-9-2-1-3-10-17)25(33)19-12-5-7-14-21(19)30(34)35/h4-7,11-14,17H,1-3,8-10,15-16H2,(H,26,32)(H,27,28,31)