[4-[(2,3-dimethoxyphenyl)methyl]piperazin-1-yl]-(4-nitrophenyl)methanone

Systemtic Name: [4-[(2,3-dimethoxyphenyl)methyl]piperazin-1-yl]-(4-nitrophenyl)methanone Openeye Name: [4-[(2,3-dimethoxyphenyl)methyl]piperazin-1-yl]-(4-nitrophenyl)methanone CAS Name: [4-[(2,3-dimethoxyphenyl)methyl]-1-piperazinyl]-(4-nitrophenyl)methanone IUPAC Name: [4-[(2,3-dimethoxyphenyl)methyl]piperazin-1-yl]-(4-nitrophenyl)methanone Traditional Name: (4-nitrophenyl)-(4-o-veratrylpiperazino)methanone Formula: C20H23N3O5 MolecularWeight: 385.41372

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)CN2CCN(CC2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1OC)CN2CCN(CC2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O5/c1-27-18-5-3-4-16(19(18)28-2)14-21-10-12-22(13-11-21)20(24)15-6-8-17(9-7-15)23(25)26/h3-9H,10-14H2,1-2H3