(5-chloranyl-2-nitro-phenyl)-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methanone

Systemtic Name: (5-chloranyl-2-nitro-phenyl)-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methanone Openeye Name: (5-chloro-2-nitro-phenyl)-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methanone CAS Name: (5-chloro-2-nitrophenyl)-[4-[(3,4-dimethoxyphenyl)methyl]-1-piperazinyl]methanone IUPAC Name: (5-chloro-2-nitrophenyl)-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methanone Traditional Name: (5-chloro-2-nitro-phenyl)-(4-veratrylpiperazino)methanone Formula: C20H22ClN3O5 MolecularWeight: 419.85878

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CCN(CC2)C(=O)C3=C(C=CC(=C3)Cl)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CCN(CC2)C(=O)C3=C(C=CC(=C3)Cl)[N+](=O)[O-])OC

InChI

InChI=1S/C20H22ClN3O5/c1-28-18-6-3-14(11-19(18)29-2)13-22-7-9-23(10-8-22)20(25)16-12-15(21)4-5-17(16)24(26)27/h3-6,11-12H,7-10,13H2,1-2H3