1-[5-azanyl-3-phenyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-3-(3-methoxypropyl)urea

Systemtic Name: 1-[5-azanyl-3-phenyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-3-(3-methoxypropyl)urea Openeye Name: 1-[5-amino-3-phenyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-3-(3-methoxypropyl)urea CAS Name: 1-[5-amino-3-phenyl-1-[4-(trifluoromethyl)phenyl]-4-pyrazolyl]-3-(3-methoxypropyl)urea IUPAC Name: 1-[5-amino-3-phenyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-3-(3-methoxypropyl)urea Traditional Name: 1-[5-amino-3-phenyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-3-(3-methoxypropyl)urea Formula: C21H22F3N5O2 MolecularWeight: 433.42689

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNC(=O)NC1=C(N(N=C1C2=CC=CC=C2)C3=CC=C(C=C3)C(F)(F)F)N

Isomeric SMILES

COCCCNC(=O)NC1=C(N(N=C1C2=CC=CC=C2)C3=CC=C(C=C3)C(F)(F)F)N

InChI

InChI=1S/C21H22F3N5O2/c1-31-13-5-12-26-20(30)27-18-17(14-6-3-2-4-7-14)28-29(19(18)25)16-10-8-15(9-11-16)21(22,23)24/h2-4,6-11H,5,12-13,25H2,1H3,(H2,26,27,30)