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

Systemtic Name: N-[3-[(4-chloranyl-3-nitro-phenyl)carbonyl-cyclohexyl-amino]propyl]-4-oxidanylidene-1H-quinazoline-2-carboxamide Openeye Name: N-[3-[(4-chloro-3-nitro-benzoyl)-cyclohexyl-amino]propyl]-4-oxo-1H-quinazoline-2-carboxamide CAS Name: N-[3-[[(4-chloro-3-nitrophenyl)-oxomethyl]-cyclohexylamino]propyl]-4-oxo-1H-quinazoline-2-carboxamide IUPAC Name: N-[3-[(4-chloro-3-nitrobenzoyl)-cyclohexylamino]propyl]-4-oxo-1H-quinazoline-2-carboxamide Traditional Name: N-[3-[(4-chloro-3-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=CC(=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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