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

Systemtic Name: N-[3-[(2-chloranyl-4-nitro-phenyl)carbonyl-cyclohexyl-amino]propyl]-4-oxidanylidene-1H-quinazoline-2-carboxamide Openeye Name: N-[3-[(2-chloro-4-nitro-benzoyl)-cyclohexyl-amino]propyl]-4-oxo-1H-quinazoline-2-carboxamide CAS Name: N-[3-[[(2-chloro-4-nitrophenyl)-oxomethyl]-cyclohexylamino]propyl]-4-oxo-1H-quinazoline-2-carboxamide IUPAC Name: N-[3-[(2-chloro-4-nitrobenzoyl)-cyclohexylamino]propyl]-4-oxo-1H-quinazoline-2-carboxamide Traditional Name: N-[3-[(2-chloro-4-nitro-benzoyl)-cyclohexyl-amino]propyl]-4-keto-1H-quinazoline-2-carboxamide Formula: C25H26ClN5O5 MolecularWeight: 511.95744

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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=C(C=C(C=C4)[N+](=O)[O-])Cl

Isomeric SMILES

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

InChI

InChI=1S/C25H26ClN5O5/c26-20-15-17(31(35)36)11-12-18(20)25(34)30(16-7-2-1-3-8-16)14-6-13-27-24(33)22-28-21-10-5-4-9-19(21)23(32)29-22/h4-5,9-12,15-16H,1-3,6-8,13-14H2,(H,27,33)(H,28,29,32)