1-[3-(4-bromanyl-2-methyl-pyrazol-3-yl)-5-morpholin-4-yl-phenyl]-3-(4-cyanophenyl)urea

Systemtic Name: 1-[3-(4-bromanyl-2-methyl-pyrazol-3-yl)-5-morpholin-4-yl-phenyl]-3-(4-cyanophenyl)urea Openeye Name: 1-[3-(4-bromo-2-methyl-pyrazol-3-yl)-5-morpholino-phenyl]-3-(4-cyanophenyl)urea CAS Name: 1-[3-(4-bromo-2-methyl-3-pyrazolyl)-5-(4-morpholinyl)phenyl]-3-(4-cyanophenyl)urea IUPAC Name: 1-[3-(4-bromo-2-methylpyrazol-3-yl)-5-morpholin-4-ylphenyl]-3-(4-cyanophenyl)urea Traditional Name: 1-[3-(4-bromo-2-methyl-pyrazol-3-yl)-5-morpholino-phenyl]-3-(4-cyanophenyl)urea Formula: C22H21BrN6O2 MolecularWeight: 481.34514

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C=N1)Br)C2=CC(=CC(=C2)NC(=O)NC3=CC=C(C=C3)C#N)N4CCOCC4

Isomeric SMILES

CN1C(=C(C=N1)Br)C2=CC(=CC(=C2)NC(=O)NC3=CC=C(C=C3)C#N)N4CCOCC4

InChI

InChI=1S/C22H21BrN6O2/c1-28-21(20(23)14-25-28)16-10-18(12-19(11-16)29-6-8-31-9-7-29)27-22(30)26-17-4-2-15(13-24)3-5-17/h2-5,10-12,14H,6-9H2,1H3,(H2,26,27,30)