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

Systemtic Name: 1-[4-[3-(furan-2-ylmethylamino)-4-nitro-phenyl]piperazin-1-yl]-3-methyl-butan-1-one Openeye Name: 1-[4-[3-(2-furylmethylamino)-4-nitro-phenyl]piperazin-1-yl]-3-methyl-butan-1-one CAS Name: 1-[4-[3-(2-furanylmethylamino)-4-nitrophenyl]-1-piperazinyl]-3-methyl-1-butanone IUPAC Name: 1-[4-[3-(furan-2-ylmethylamino)-4-nitrophenyl]piperazin-1-yl]-3-methylbutan-1-one Traditional Name: 1-[4-[3-(2-furfurylamino)-4-nitro-phenyl]piperazino]-3-methyl-butan-1-one Formula: C20H26N4O4 MolecularWeight: 386.44484

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N4O4/c1-15(2)12-20(25)23-9-7-22(8-10-23)16-5-6-19(24(26)27)18(13-16)21-14-17-4-3-11-28-17/h3-6,11,13,15,21H,7-10,12,14H2,1-2H3