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

Systemtic Name: [4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-(3-methyl-4-nitro-phenyl)methanone Openeye Name: [4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-(3-methyl-4-nitro-phenyl)methanone CAS Name: [4-[(2,5-dimethoxyphenyl)methyl]-1-piperazinyl]-(3-methyl-4-nitrophenyl)methanone IUPAC Name: [4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-(3-methyl-4-nitrophenyl)methanone Traditional Name: [4-(2,5-dimethoxybenzyl)piperazino]-(3-methyl-4-nitro-phenyl)methanone Formula: C21H25N3O5 MolecularWeight: 399.4403

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)N2CCN(CC2)CC3=C(C=CC(=C3)OC)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)N2CCN(CC2)CC3=C(C=CC(=C3)OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O5/c1-15-12-16(4-6-19(15)24(26)27)21(25)23-10-8-22(9-11-23)14-17-13-18(28-2)5-7-20(17)29-3/h4-7,12-13H,8-11,14H2,1-3H3