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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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