N-[[4-[3-(furan-2-ylmethylamino)-4-nitro-phenyl]piperazin-1-yl]methyl]pyridine-3-carboxamide

Systemtic Name: N-[[4-[3-(furan-2-ylmethylamino)-4-nitro-phenyl]piperazin-1-yl]methyl]pyridine-3-carboxamide Openeye Name: N-[[4-[3-(2-furylmethylamino)-4-nitro-phenyl]piperazin-1-yl]methyl]pyridine-3-carboxamide CAS Name: N-[[4-[3-(2-furanylmethylamino)-4-nitrophenyl]-1-piperazinyl]methyl]-3-pyridinecarboxamide IUPAC Name: N-[[4-[3-(furan-2-ylmethylamino)-4-nitrophenyl]piperazin-1-yl]methyl]pyridine-3-carboxamide Traditional Name: N-[[4-[3-(2-furfurylamino)-4-nitro-phenyl]piperazino]methyl]nicotinamide Formula: C22H24N6O4 MolecularWeight: 436.46376

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CNC(=O)C2=CN=CC=C2)C3=CC(=C(C=C3)[N+](=O)[O-])NCC4=CC=CO4

Isomeric SMILES

C1CN(CCN1CNC(=O)C2=CN=CC=C2)C3=CC(=C(C=C3)[N+](=O)[O-])NCC4=CC=CO4

InChI

InChI=1S/C22H24N6O4/c29-22(17-3-1-7-23-14-17)25-16-26-8-10-27(11-9-26)18-5-6-21(28(30)31)20(13-18)24-15-19-4-2-12-32-19/h1-7,12-14,24H,8-11,15-16H2,(H,25,29)