1-[4-[3-(furan-2-ylmethylamino)-4-nitro-phenyl]piperazin-1-yl]butan-1-one

Systemtic Name: 1-[4-[3-(furan-2-ylmethylamino)-4-nitro-phenyl]piperazin-1-yl]butan-1-one Openeye Name: 1-[4-[3-(2-furylmethylamino)-4-nitro-phenyl]piperazin-1-yl]butan-1-one CAS Name: 1-[4-[3-(2-furanylmethylamino)-4-nitrophenyl]-1-piperazinyl]-1-butanone IUPAC Name: 1-[4-[3-(furan-2-ylmethylamino)-4-nitrophenyl]piperazin-1-yl]butan-1-one Traditional Name: 1-[4-[3-(2-furfurylamino)-4-nitro-phenyl]piperazino]butan-1-one Formula: C19H24N4O4 MolecularWeight: 372.41826

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])NCC3=CC=CO3

Isomeric SMILES

CCCC(=O)N1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])NCC3=CC=CO3

InChI

InChI=1S/C19H24N4O4/c1-2-4-19(24)22-10-8-21(9-11-22)15-6-7-18(23(25)26)17(13-15)20-14-16-5-3-12-27-16/h3,5-7,12-13,20H,2,4,8-11,14H2,1H3