1-[(2R)-2-(1,3-benzodioxol-4-yl)heptyl]-3-(5-methyl-2-phenyl-4-propan-2-yloxy-pyrazol-3-yl)urea

Systemtic Name: 1-[(2R)-2-(1,3-benzodioxol-4-yl)heptyl]-3-(5-methyl-2-phenyl-4-propan-2-yloxy-pyrazol-3-yl)urea Openeye Name: 1-[(2R)-2-(1,3-benzodioxol-4-yl)heptyl]-3-(4-isopropoxy-5-methyl-2-phenyl-pyrazol-3-yl)urea CAS Name: 1-[(2R)-2-(1,3-benzodioxol-4-yl)heptyl]-3-(5-methyl-2-phenyl-4-propan-2-yloxy-3-pyrazolyl)urea IUPAC Name: 1-[(2R)-2-(1,3-benzodioxol-4-yl)heptyl]-3-(5-methyl-2-phenyl-4-propan-2-yloxypyrazol-3-yl)urea Traditional Name: 1-[(2R)-2-(1,3-benzodioxol-4-yl)heptyl]-3-(4-isopropoxy-5-methyl-2-phenyl-pyrazol-3-yl)urea Formula: C28H36N4O4 MolecularWeight: 492.60984

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CNC(=O)NC1=C(C(=NN1C2=CC=CC=C2)C)OC(C)C)C3=C4C(=CC=C3)OCO4

Isomeric SMILES

CCCCC[C@@H](CNC(=O)NC1=C(C(=NN1C2=CC=CC=C2)C)OC(C)C)C3=C4C(=CC=C3)OCO4

InChI

InChI=1S/C28H36N4O4/c1-5-6-8-12-21(23-15-11-16-24-26(23)35-18-34-24)17-29-28(33)30-27-25(36-19(2)3)20(4)31-32(27)22-13-9-7-10-14-22/h7,9-11,13-16,19,21H,5-6,8,12,17-18H2,1-4H3,(H2,29,30,33)/t21-/m0/s1