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

Systemtic Name: (3-nitro-4-pyrrolidin-1-yl-phenyl)-[4-(phenylmethyl)piperazin-1-yl]methanone Openeye Name: (4-benzylpiperazin-1-yl)-(3-nitro-4-pyrrolidin-1-yl-phenyl)methanone CAS Name: [3-nitro-4-(1-pyrrolidinyl)phenyl]-[4-(phenylmethyl)-1-piperazinyl]methanone IUPAC Name: (4-benzylpiperazin-1-yl)-(3-nitro-4-pyrrolidin-1-ylphenyl)methanone Traditional Name: (4-benzylpiperazino)-(3-nitro-4-pyrrolidino-phenyl)methanone Formula: C22H26N4O3 MolecularWeight: 394.46684

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)CC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)CC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H26N4O3/c27-22(25-14-12-23(13-15-25)17-18-6-2-1-3-7-18)19-8-9-20(21(16-19)26(28)29)24-10-4-5-11-24/h1-3,6-9,16H,4-5,10-15,17H2