[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-(5-ethoxy-4-methoxy-2-nitro-phenyl)methanone

Systemtic Name: [4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-(5-ethoxy-4-methoxy-2-nitro-phenyl)methanone Openeye Name: [4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-(5-ethoxy-4-methoxy-2-nitro-phenyl)methanone CAS Name: [4-[1-(2-chlorophenyl)ethyl]-1-piperazinyl]-(5-ethoxy-4-methoxy-2-nitrophenyl)methanone IUPAC Name: [4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-(5-ethoxy-4-methoxy-2-nitrophenyl)methanone Traditional Name: [4-[1-(2-chlorophenyl)ethyl]piperazino]-(5-ethoxy-4-methoxy-2-nitro-phenyl)methanone Formula: C22H26ClN3O5 MolecularWeight: 447.91194

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)C(=O)N2CCN(CC2)C(C)C3=CC=CC=C3Cl)[N+](=O)[O-])OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)C(=O)N2CCN(CC2)C(C)C3=CC=CC=C3Cl)[N+](=O)[O-])OC

InChI

InChI=1S/C22H26ClN3O5/c1-4-31-21-13-17(19(26(28)29)14-20(21)30-3)22(27)25-11-9-24(10-12-25)15(2)16-7-5-6-8-18(16)23/h5-8,13-15H,4,9-12H2,1-3H3