3-methyl-1-[4-(4-nitro-3-piperidin-1-yl-phenyl)piperazin-1-yl]butan-1-one

Systemtic Name: 3-methyl-1-[4-(4-nitro-3-piperidin-1-yl-phenyl)piperazin-1-yl]butan-1-one Openeye Name: 3-methyl-1-[4-[4-nitro-3-(1-piperidyl)phenyl]piperazin-1-yl]butan-1-one CAS Name: 3-methyl-1-[4-[4-nitro-3-(1-piperidinyl)phenyl]-1-piperazinyl]-1-butanone IUPAC Name: 3-methyl-1-[4-(4-nitro-3-piperidin-1-ylphenyl)piperazin-1-yl]butan-1-one Traditional Name: 3-methyl-1-[4-(4-nitro-3-piperidino-phenyl)piperazino]butan-1-one Formula: C20H30N4O3 MolecularWeight: 374.4772

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])N3CCCCC3

Isomeric SMILES

CC(C)CC(=O)N1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])N3CCCCC3

InChI

InChI=1S/C20H30N4O3/c1-16(2)14-20(25)23-12-10-21(11-13-23)17-6-7-18(24(26)27)19(15-17)22-8-4-3-5-9-22/h6-7,15-16H,3-5,8-14H2,1-2H3