1-[4-[3-(4-fluoranylphenoxy)pyrrolidin-1-yl]butyl]-3-(4-methoxy-2-nitro-phenyl)urea

Systemtic Name: 1-[4-[3-(4-fluoranylphenoxy)pyrrolidin-1-yl]butyl]-3-(4-methoxy-2-nitro-phenyl)urea Openeye Name: 1-[4-[3-(4-fluorophenoxy)pyrrolidin-1-yl]butyl]-3-(4-methoxy-2-nitro-phenyl)urea CAS Name: 1-[4-[3-(4-fluorophenoxy)-1-pyrrolidinyl]butyl]-3-(4-methoxy-2-nitrophenyl)urea IUPAC Name: 1-[4-[3-(4-fluorophenoxy)pyrrolidin-1-yl]butyl]-3-(4-methoxy-2-nitrophenyl)urea Traditional Name: 1-[4-[3-(4-fluorophenoxy)pyrrolidino]butyl]-3-(4-methoxy-2-nitro-phenyl)urea Formula: C22H27FN4O5 MolecularWeight: 446.471983

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=O)NCCCCN2CCC(C2)OC3=CC=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=O)NCCCCN2CCC(C2)OC3=CC=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C22H27FN4O5/c1-31-18-8-9-20(21(14-18)27(29)30)25-22(28)24-11-2-3-12-26-13-10-19(15-26)32-17-6-4-16(23)5-7-17/h4-9,14,19H,2-3,10-13,15H2,1H3,(H2,24,25,28)