(3-bromanyl-4-ethoxy-5-methoxy-phenyl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone

Systemtic Name: (3-bromanyl-4-ethoxy-5-methoxy-phenyl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone Openeye Name: (3-bromo-4-ethoxy-5-methoxy-phenyl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone CAS Name: (3-bromo-4-ethoxy-5-methoxyphenyl)-[4-(4-nitrophenyl)-1-piperazinyl]methanone IUPAC Name: (3-bromo-4-ethoxy-5-methoxyphenyl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone Traditional Name: (3-bromo-4-ethoxy-5-methoxy-phenyl)-[4-(4-nitrophenyl)piperazino]methanone Formula: C20H22BrN3O5 MolecularWeight: 464.30978

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Br)C(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Br)C(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C20H22BrN3O5/c1-3-29-19-17(21)12-14(13-18(19)28-2)20(25)23-10-8-22(9-11-23)15-4-6-16(7-5-15)24(26)27/h4-7,12-13H,3,8-11H2,1-2H3