[(3S)-1-(furan-3-ylcarbonyl)piperidin-3-yl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone

Systemtic Name: [(3S)-1-(furan-3-ylcarbonyl)piperidin-3-yl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone Openeye Name: [(3S)-1-(furan-3-carbonyl)-3-piperidyl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone CAS Name: [(3S)-1-[3-furanyl(oxo)methyl]-3-piperidinyl]-[4-(4-nitrophenyl)-1-piperazinyl]methanone IUPAC Name: [(3S)-1-(furan-3-carbonyl)piperidin-3-yl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone Traditional Name: [(3S)-1-(3-furoyl)-3-piperidyl]-[4-(4-nitrophenyl)piperazino]methanone Formula: C21H24N4O5 MolecularWeight: 412.43906

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=COC=C2)C(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)C2=COC=C2)C(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H24N4O5/c26-20(16-2-1-8-24(14-16)21(27)17-7-13-30-15-17)23-11-9-22(10-12-23)18-3-5-19(6-4-18)25(28)29/h3-7,13,15-16H,1-2,8-12,14H2/t16-/m0/s1