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

Systemtic Name: [4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-(3-nitro-4-pyrrolidin-1-yl-phenyl)methanone Openeye Name: [4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-(3-nitro-4-pyrrolidin-1-yl-phenyl)methanone CAS Name: [4-[(2,5-dimethoxyphenyl)methyl]-1-piperazinyl]-[3-nitro-4-(1-pyrrolidinyl)phenyl]methanone IUPAC Name: [4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-(3-nitro-4-pyrrolidin-1-ylphenyl)methanone Traditional Name: [4-(2,5-dimethoxybenzyl)piperazino]-(3-nitro-4-pyrrolidino-phenyl)methanone Formula: C24H30N4O5 MolecularWeight: 454.5188

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)CN2CCN(CC2)C(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)OC)CN2CCN(CC2)C(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-]

InChI

InChI=1S/C24H30N4O5/c1-32-20-6-8-23(33-2)19(15-20)17-25-11-13-27(14-12-25)24(29)18-5-7-21(22(16-18)28(30)31)26-9-3-4-10-26/h5-8,15-16H,3-4,9-14,17H2,1-2H3