[6-bromanyl-2-(4-ethoxyphenyl)quinolin-4-yl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone

Systemtic Name: [6-bromanyl-2-(4-ethoxyphenyl)quinolin-4-yl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone Openeye Name: [6-bromo-2-(4-ethoxyphenyl)-4-quinolyl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone CAS Name: [6-bromo-2-(4-ethoxyphenyl)-4-quinolinyl]-[4-(4-nitrophenyl)-1-piperazinyl]methanone IUPAC Name: [6-bromo-2-(4-ethoxyphenyl)quinolin-4-yl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone Traditional Name: (6-bromo-2-p-phenetyl-4-quinolyl)-[4-(4-nitrophenyl)piperazino]methanone Formula: C28H25BrN4O4 MolecularWeight: 561.4265

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)N4CCN(CC4)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)N4CCN(CC4)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C28H25BrN4O4/c1-2-37-23-10-3-19(4-11-23)27-18-25(24-17-20(29)5-12-26(24)30-27)28(34)32-15-13-31(14-16-32)21-6-8-22(9-7-21)33(35)36/h3-12,17-18H,2,13-16H2,1H3