1-[4-(4-chloranylphenoxy)butyl]-3-[(6-pyrazol-1-ylpyridin-3-yl)methyl]urea

Systemtic Name: 1-[4-(4-chloranylphenoxy)butyl]-3-[(6-pyrazol-1-ylpyridin-3-yl)methyl]urea Openeye Name: 1-[4-(4-chlorophenoxy)butyl]-3-[(6-pyrazol-1-yl-3-pyridyl)methyl]urea CAS Name: 1-[4-(4-chlorophenoxy)butyl]-3-[[6-(1-pyrazolyl)-3-pyridinyl]methyl]urea IUPAC Name: 1-[4-(4-chlorophenoxy)butyl]-3-[(6-pyrazol-1-ylpyridin-3-yl)methyl]urea Traditional Name: 1-[4-(4-chlorophenoxy)butyl]-3-[(6-pyrazol-1-yl-3-pyridyl)methyl]urea Formula: C20H22ClN5O2 MolecularWeight: 399.87398

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(N=C1)C2=NC=C(C=C2)CNC(=O)NCCCCOC3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CN(N=C1)C2=NC=C(C=C2)CNC(=O)NCCCCOC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H22ClN5O2/c21-17-5-7-18(8-6-17)28-13-2-1-10-22-20(27)24-15-16-4-9-19(23-14-16)26-12-3-11-25-26/h3-9,11-12,14H,1-2,10,13,15H2,(H2,22,24,27)