azepan-1-yl-[1-[[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]methanone

Systemtic Name: azepan-1-yl-[1-[[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]methanone Openeye Name: azepan-1-yl-[1-[[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-piperidyl]methanone CAS Name: 1-azepanyl-[1-[[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-piperidinyl]methanone IUPAC Name: azepan-1-yl-[1-[[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]methanone Traditional Name: azepan-1-yl-[1-[[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-piperidyl]methanone Formula: C21H27N5O4 MolecularWeight: 413.47018

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CCN(CC2)CC3=NC(=NO3)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C(=O)C2CCN(CC2)CC3=NC(=NO3)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H27N5O4/c27-21(25-10-3-1-2-4-11-25)16-8-12-24(13-9-16)15-19-22-20(23-30-19)17-6-5-7-18(14-17)26(28)29/h5-7,14,16H,1-4,8-13,15H2