N-cyclohexyl-N-methyl-2-(4-nitrophenyl)quinazolin-4-amine chloride

Systemtic Name: N-cyclohexyl-N-methyl-2-(4-nitrophenyl)quinazolin-4-amine chloride Openeye Name: N-cyclohexyl-N-methyl-2-(4-nitrophenyl)quinazolin-4-amine chloride CAS Name: N-cyclohexyl-N-methyl-2-(4-nitrophenyl)-4-quinazolinamine chloride IUPAC Name: N-cyclohexyl-N-methyl-2-(4-nitrophenyl)quinazolin-4-amine chloride Traditional Name: cyclohexyl-methyl-[2-(4-nitrophenyl)quinazolin-4-yl]amine chloride Formula: C21H22ClN4O2- MolecularWeight: 397.87798

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCCC1)C2=NC(=NC3=CC=CC=C32)C4=CC=C(C=C4)[N+](=O)[O-].[Cl-]

Isomeric SMILES

CN(C1CCCCC1)C2=NC(=NC3=CC=CC=C32)C4=CC=C(C=C4)[N+](=O)[O-].[Cl-]

InChI

InChI=1S/C21H22N4O2.ClH/c1-24(16-7-3-2-4-8-16)21-18-9-5-6-10-19(18)22-20(23-21)15-11-13-17(14-12-15)25(26)27;/h5-6,9-14,16H,2-4,7-8H2,1H3;1H/p-1