(3,4-dichlorophenyl)-[4-(4-nitro-3-pyrrolidin-1-yl-phenyl)piperazin-1-yl]methanone

Systemtic Name: (3,4-dichlorophenyl)-[4-(4-nitro-3-pyrrolidin-1-yl-phenyl)piperazin-1-yl]methanone Openeye Name: (3,4-dichlorophenyl)-[4-(4-nitro-3-pyrrolidin-1-yl-phenyl)piperazin-1-yl]methanone CAS Name: (3,4-dichlorophenyl)-[4-[4-nitro-3-(1-pyrrolidinyl)phenyl]-1-piperazinyl]methanone IUPAC Name: (3,4-dichlorophenyl)-[4-(4-nitro-3-pyrrolidin-1-ylphenyl)piperazin-1-yl]methanone Traditional Name: (3,4-dichlorophenyl)-[4-(4-nitro-3-pyrrolidino-phenyl)piperazino]methanone Formula: C21H22Cl2N4O3 MolecularWeight: 449.33038

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=CC(=C2)N3CCN(CC3)C(=O)C4=CC(=C(C=C4)Cl)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=CC(=C2)N3CCN(CC3)C(=O)C4=CC(=C(C=C4)Cl)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H22Cl2N4O3/c22-17-5-3-15(13-18(17)23)21(28)26-11-9-24(10-12-26)16-4-6-19(27(29)30)20(14-16)25-7-1-2-8-25/h3-6,13-14H,1-2,7-12H2