1-[1-(2-dimethylaminoethyl)piperidin-4-yl]-3-[4-(2-fluoranyl-4-nitro-phenoxy)pyridin-2-yl]-1-methyl-urea

Systemtic Name: 1-[1-(2-dimethylaminoethyl)piperidin-4-yl]-3-[4-(2-fluoranyl-4-nitro-phenoxy)pyridin-2-yl]-1-methyl-urea Openeye Name: 1-[1-(2-dimethylaminoethyl)-4-piperidyl]-3-[4-(2-fluoro-4-nitro-phenoxy)-2-pyridyl]-1-methyl-urea CAS Name: 1-[1-(2-dimethylaminoethyl)-4-piperidinyl]-3-[4-(2-fluoro-4-nitrophenoxy)-2-pyridinyl]-1-methylurea IUPAC Name: 1-[1-(2-dimethylaminoethyl)piperidin-4-yl]-3-[4-(2-fluoro-4-nitrophenoxy)pyridin-2-yl]-1-methylurea Traditional Name: 1-[1-(2-dimethylaminoethyl)-4-piperidyl]-3-[4-(2-fluoro-4-nitro-phenoxy)-2-pyridyl]-1-methyl-urea Formula: C22H29FN6O4 MolecularWeight: 460.501863

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN1CCC(CC1)N(C)C(=O)NC2=NC=CC(=C2)OC3=C(C=C(C=C3)[N+](=O)[O-])F

Isomeric SMILES

CN(C)CCN1CCC(CC1)N(C)C(=O)NC2=NC=CC(=C2)OC3=C(C=C(C=C3)[N+](=O)[O-])F

InChI

InChI=1S/C22H29FN6O4/c1-26(2)12-13-28-10-7-16(8-11-28)27(3)22(30)25-21-15-18(6-9-24-21)33-20-5-4-17(29(31)32)14-19(20)23/h4-6,9,14-16H,7-8,10-13H2,1-3H3,(H,24,25,30)