1-[3-(4-bromanyl-1-methyl-pyrazol-3-yl)phenyl]-3-[(3,4,5-trimethoxyphenyl)methyl]urea

Systemtic Name: 1-[3-(4-bromanyl-1-methyl-pyrazol-3-yl)phenyl]-3-[(3,4,5-trimethoxyphenyl)methyl]urea Openeye Name: 1-[3-(4-bromo-1-methyl-pyrazol-3-yl)phenyl]-3-[(3,4,5-trimethoxyphenyl)methyl]urea CAS Name: 1-[3-(4-bromo-1-methyl-3-pyrazolyl)phenyl]-3-[(3,4,5-trimethoxyphenyl)methyl]urea IUPAC Name: 1-[3-(4-bromo-1-methylpyrazol-3-yl)phenyl]-3-[(3,4,5-trimethoxyphenyl)methyl]urea Traditional Name: 1-[3-(4-bromo-1-methyl-pyrazol-3-yl)phenyl]-3-(3,4,5-trimethoxybenzyl)urea Formula: C21H23BrN4O4 MolecularWeight: 475.33572

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC(=CC=C2)NC(=O)NCC3=CC(=C(C(=C3)OC)OC)OC)Br

Isomeric SMILES

CN1C=C(C(=N1)C2=CC(=CC=C2)NC(=O)NCC3=CC(=C(C(=C3)OC)OC)OC)Br

InChI

InChI=1S/C21H23BrN4O4/c1-26-12-16(22)19(25-26)14-6-5-7-15(10-14)24-21(27)23-11-13-8-17(28-2)20(30-4)18(9-13)29-3/h5-10,12H,11H2,1-4H3,(H2,23,24,27)