(5-nitro-2-pyrrolidin-1-yl-phenyl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone

Systemtic Name: (5-nitro-2-pyrrolidin-1-yl-phenyl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone Openeye Name: (5-nitro-2-pyrrolidin-1-yl-phenyl)-[4-(4-pyridylmethyl)piperazin-1-yl]methanone CAS Name: [5-nitro-2-(1-pyrrolidinyl)phenyl]-[4-(pyridin-4-ylmethyl)-1-piperazinyl]methanone IUPAC Name: (5-nitro-2-pyrrolidin-1-ylphenyl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone Traditional Name: (5-nitro-2-pyrrolidino-phenyl)-[4-(4-pyridylmethyl)piperazino]methanone Formula: C21H25N5O3 MolecularWeight: 395.4549

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N5O3/c27-21(25-13-11-23(12-14-25)16-17-5-7-22-8-6-17)19-15-18(26(28)29)3-4-20(19)24-9-1-2-10-24/h3-8,15H,1-2,9-14,16H2