1-[[1-methyl-5-[[4-(3-nitrophenyl)piperazin-1-yl]methyl]pyrrol-2-yl]methyl]piperidin-2-one

Systemtic Name: 1-[[1-methyl-5-[[4-(3-nitrophenyl)piperazin-1-yl]methyl]pyrrol-2-yl]methyl]piperidin-2-one Openeye Name: 1-[[1-methyl-5-[[4-(3-nitrophenyl)piperazin-1-yl]methyl]pyrrol-2-yl]methyl]piperidin-2-one CAS Name: 1-[[1-methyl-5-[[4-(3-nitrophenyl)-1-piperazinyl]methyl]-2-pyrrolyl]methyl]-2-piperidinone IUPAC Name: 1-[[1-methyl-5-[[4-(3-nitrophenyl)piperazin-1-yl]methyl]pyrrol-2-yl]methyl]piperidin-2-one Traditional Name: 1-[[1-methyl-5-[[4-(3-nitrophenyl)piperazino]methyl]pyrrol-2-yl]methyl]-2-piperidone Formula: C22H29N5O3 MolecularWeight: 411.49736

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC=C1CN2CCCCC2=O)CN3CCN(CC3)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CN1C(=CC=C1CN2CCCCC2=O)CN3CCN(CC3)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H29N5O3/c1-23-20(8-9-21(23)17-26-10-3-2-7-22(26)28)16-24-11-13-25(14-12-24)18-5-4-6-19(15-18)27(29)30/h4-6,8-9,15H,2-3,7,10-14,16-17H2,1H3