7-[6-chloranyl-3-(1-hydroxyethyl)-2-nitro-phenoxy]-N-piperidin-1-yl-heptanamide

Systemtic Name: 7-[6-chloranyl-3-(1-hydroxyethyl)-2-nitro-phenoxy]-N-piperidin-1-yl-heptanamide Openeye Name: 7-[6-chloro-3-(1-hydroxyethyl)-2-nitro-phenoxy]-N-(1-piperidyl)heptanamide CAS Name: 7-[6-chloro-3-(1-hydroxyethyl)-2-nitrophenoxy]-N-(1-piperidinyl)heptanamide IUPAC Name: 7-[6-chloro-3-(1-hydroxyethyl)-2-nitrophenoxy]-N-piperidin-1-ylheptanamide Traditional Name: 7-[6-chloro-3-(1-hydroxyethyl)-2-nitro-phenoxy]-N-piperidino-enanthamide Formula: C20H30ClN3O5 MolecularWeight: 427.9223

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(C(=C(C=C1)Cl)OCCCCCCC(=O)NN2CCCCC2)[N+](=O)[O-])O

Isomeric SMILES

CC(C1=C(C(=C(C=C1)Cl)OCCCCCCC(=O)NN2CCCCC2)[N+](=O)[O-])O

InChI

InChI=1S/C20H30ClN3O5/c1-15(25)16-10-11-17(21)20(19(16)24(27)28)29-14-8-3-2-5-9-18(26)22-23-12-6-4-7-13-23/h10-11,15,25H,2-9,12-14H2,1H3,(H,22,26)