N-(2-bromanyl-4-nitro-phenyl)-1-(6-methyl-4-phenyl-quinazolin-2-yl)piperidine-4-carboxamide

Systemtic Name: N-(2-bromanyl-4-nitro-phenyl)-1-(6-methyl-4-phenyl-quinazolin-2-yl)piperidine-4-carboxamide Openeye Name: N-(2-bromo-4-nitro-phenyl)-1-(6-methyl-4-phenyl-quinazolin-2-yl)piperidine-4-carboxamide CAS Name: N-(2-bromo-4-nitrophenyl)-1-(6-methyl-4-phenyl-2-quinazolinyl)-4-piperidinecarboxamide IUPAC Name: N-(2-bromo-4-nitrophenyl)-1-(6-methyl-4-phenylquinazolin-2-yl)piperidine-4-carboxamide Traditional Name: N-(2-bromo-4-nitro-phenyl)-1-(6-methyl-4-phenyl-quinazolin-2-yl)isonipecotamide Formula: C27H24BrN5O3 MolecularWeight: 546.41516

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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=C5)[N+](=O)[O-])Br

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N=C2C3=CC=CC=C3)N4CCC(CC4)C(=O)NC5=C(C=C(C=C5)[N+](=O)[O-])Br

InChI

InChI=1S/C27H24BrN5O3/c1-17-7-9-23-21(15-17)25(18-5-3-2-4-6-18)31-27(30-23)32-13-11-19(12-14-32)26(34)29-24-10-8-20(33(35)36)16-22(24)28/h2-10,15-16,19H,11-14H2,1H3,(H,29,34)