3-methyl-1-[4-[2-(4-methylpiperidin-1-yl)-5-nitro-phenyl]carbonylpiperazin-1-yl]butan-1-one

Systemtic Name: 3-methyl-1-[4-[2-(4-methylpiperidin-1-yl)-5-nitro-phenyl]carbonylpiperazin-1-yl]butan-1-one Openeye Name: 3-methyl-1-[4-[2-(4-methyl-1-piperidyl)-5-nitro-benzoyl]piperazin-1-yl]butan-1-one CAS Name: 3-methyl-1-[4-[[2-(4-methyl-1-piperidinyl)-5-nitrophenyl]-oxomethyl]-1-piperazinyl]-1-butanone IUPAC Name: 3-methyl-1-[4-[2-(4-methylpiperidin-1-yl)-5-nitrobenzoyl]piperazin-1-yl]butan-1-one Traditional Name: 3-methyl-1-[4-[2-(4-methylpiperidino)-5-nitro-benzoyl]piperazino]butan-1-one Formula: C22H32N4O4 MolecularWeight: 416.51388

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)N3CCN(CC3)C(=O)CC(C)C

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)N3CCN(CC3)C(=O)CC(C)C

InChI

InChI=1S/C22H32N4O4/c1-16(2)14-21(27)24-10-12-25(13-11-24)22(28)19-15-18(26(29)30)4-5-20(19)23-8-6-17(3)7-9-23/h4-5,15-17H,6-14H2,1-3H3