N-(2-chloranyl-4,6-dinitro-phenyl)-1-(6-methyl-4-phenyl-quinazolin-2-yl)piperidine-4-carboxamide

Systemtic Name: N-(2-chloranyl-4,6-dinitro-phenyl)-1-(6-methyl-4-phenyl-quinazolin-2-yl)piperidine-4-carboxamide Openeye Name: N-(2-chloro-4,6-dinitro-phenyl)-1-(6-methyl-4-phenyl-quinazolin-2-yl)piperidine-4-carboxamide CAS Name: N-(2-chloro-4,6-dinitrophenyl)-1-(6-methyl-4-phenyl-2-quinazolinyl)-4-piperidinecarboxamide IUPAC Name: N-(2-chloro-4,6-dinitrophenyl)-1-(6-methyl-4-phenylquinazolin-2-yl)piperidine-4-carboxamide Traditional Name: N-(2-chloro-4,6-dinitro-phenyl)-1-(6-methyl-4-phenyl-quinazolin-2-yl)isonipecotamide Formula: C27H23ClN6O5 MolecularWeight: 546.96172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N=C2C3=CC=CC=C3)N4CCC(CC4)C(=O)NC5=C(C=C(C=C5Cl)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N=C2C3=CC=CC=C3)N4CCC(CC4)C(=O)NC5=C(C=C(C=C5Cl)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C27H23ClN6O5/c1-16-7-8-22-20(13-16)24(17-5-3-2-4-6-17)31-27(29-22)32-11-9-18(10-12-32)26(35)30-25-21(28)14-19(33(36)37)15-23(25)34(38)39/h2-8,13-15,18H,9-12H2,1H3,(H,30,35)