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

Systemtic Name: 2-methyl-1-[4-[4-(3-methylpiperidin-1-yl)-3-nitro-phenyl]carbonylpiperazin-1-yl]propan-1-one Openeye Name: 2-methyl-1-[4-[4-(3-methyl-1-piperidyl)-3-nitro-benzoyl]piperazin-1-yl]propan-1-one CAS Name: 2-methyl-1-[4-[[4-(3-methyl-1-piperidinyl)-3-nitrophenyl]-oxomethyl]-1-piperazinyl]-1-propanone IUPAC Name: 2-methyl-1-[4-[4-(3-methylpiperidin-1-yl)-3-nitrobenzoyl]piperazin-1-yl]propan-1-one Traditional Name: 2-methyl-1-[4-[4-(3-methylpiperidino)-3-nitro-benzoyl]piperazino]propan-1-one Formula: C21H30N4O4 MolecularWeight: 402.4873

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)C(=O)C(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)C(=O)C(C)C)[N+](=O)[O-]

InChI

InChI=1S/C21H30N4O4/c1-15(2)20(26)22-9-11-23(12-10-22)21(27)17-6-7-18(19(13-17)25(28)29)24-8-4-5-16(3)14-24/h6-7,13,15-16H,4-5,8-12,14H2,1-3H3