furan-2-yl-[4-[4-nitro-3-(pyridin-3-ylmethylamino)phenyl]piperazin-1-yl]methanone

Systemtic Name: furan-2-yl-[4-[4-nitro-3-(pyridin-3-ylmethylamino)phenyl]piperazin-1-yl]methanone Openeye Name: 2-furyl-[4-[4-nitro-3-(3-pyridylmethylamino)phenyl]piperazin-1-yl]methanone CAS Name: 2-furanyl-[4-[4-nitro-3-(3-pyridinylmethylamino)phenyl]-1-piperazinyl]methanone IUPAC Name: furan-2-yl-[4-[4-nitro-3-(pyridin-3-ylmethylamino)phenyl]piperazin-1-yl]methanone Traditional Name: 2-furyl-[4-[4-nitro-3-(3-pyridylmethylamino)phenyl]piperazino]methanone Formula: C21H21N5O4 MolecularWeight: 407.42254

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])NCC3=CN=CC=C3)C(=O)C4=CC=CO4

Isomeric SMILES

C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])NCC3=CN=CC=C3)C(=O)C4=CC=CO4

InChI

InChI=1S/C21H21N5O4/c27-21(20-4-2-12-30-20)25-10-8-24(9-11-25)17-5-6-19(26(28)29)18(13-17)23-15-16-3-1-7-22-14-16/h1-7,12-14,23H,8-11,15H2