4-[4-[[3-(2-chloranyl-4-nitro-imidazol-1-yl)-2-methyl-2-oxidanyl-propyl]-methyl-amino]piperidin-1-yl]benzenecarbonitrile

Systemtic Name: 4-[4-[[3-(2-chloranyl-4-nitro-imidazol-1-yl)-2-methyl-2-oxidanyl-propyl]-methyl-amino]piperidin-1-yl]benzenecarbonitrile Openeye Name: 4-[4-[[3-(2-chloro-4-nitro-imidazol-1-yl)-2-hydroxy-2-methyl-propyl]-methyl-amino]-1-piperidyl]benzonitrile CAS Name: 4-[4-[[3-(2-chloro-4-nitro-1-imidazolyl)-2-hydroxy-2-methylpropyl]-methylamino]-1-piperidinyl]benzonitrile IUPAC Name: 4-[4-[[3-(2-chloro-4-nitroimidazol-1-yl)-2-hydroxy-2-methylpropyl]-methylamino]piperidin-1-yl]benzonitrile Traditional Name: 4-[4-[[3-(2-chloro-4-nitro-imidazol-1-yl)-2-hydroxy-2-methyl-propyl]-methyl-amino]piperidino]benzonitrile Formula: C20H25ClN6O3 MolecularWeight: 432.9039

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C=C(N=C1Cl)[N+](=O)[O-])(CN(C)C2CCN(CC2)C3=CC=C(C=C3)C#N)O

Isomeric SMILES

CC(CN1C=C(N=C1Cl)[N+](=O)[O-])(CN(C)C2CCN(CC2)C3=CC=C(C=C3)C#N)O

InChI

InChI=1S/C20H25ClN6O3/c1-20(28,14-26-12-18(27(29)30)23-19(26)21)13-24(2)16-7-9-25(10-8-16)17-5-3-15(11-22)4-6-17/h3-6,12,16,28H,7-10,13-14H2,1-2H3