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

Systemtic Name: [4-[4-nitro-3-(pyridin-3-ylmethylamino)phenyl]piperazin-1-yl]-thiophen-2-yl-methanone Openeye Name: [4-[4-nitro-3-(3-pyridylmethylamino)phenyl]piperazin-1-yl]-(2-thienyl)methanone CAS Name: [4-[4-nitro-3-(3-pyridinylmethylamino)phenyl]-1-piperazinyl]-thiophen-2-ylmethanone IUPAC Name: [4-[4-nitro-3-(pyridin-3-ylmethylamino)phenyl]piperazin-1-yl]-thiophen-2-ylmethanone Traditional Name: [4-[4-nitro-3-(3-pyridylmethylamino)phenyl]piperazino]-(2-thienyl)methanone Formula: C21H21N5O3S MolecularWeight: 423.48814

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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=CS4

Isomeric SMILES

C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])NCC3=CN=CC=C3)C(=O)C4=CC=CS4

InChI

InChI=1S/C21H21N5O3S/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