3-[4-bromanyl-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(4-pyrrol-1-ylphenyl)ethyl]propanamide

Systemtic Name: 3-[4-bromanyl-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(4-pyrrol-1-ylphenyl)ethyl]propanamide Openeye Name: 3-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(4-pyrrol-1-ylphenyl)ethyl]propanamide CAS Name: 3-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)-1-pyrazolyl]-N-[1-[4-(1-pyrrolyl)phenyl]ethyl]propanamide IUPAC Name: 3-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(4-pyrrol-1-ylphenyl)ethyl]propanamide Traditional Name: 3-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(4-pyrrol-1-ylphenyl)ethyl]propionamide Formula: C22H22BrF3N4O MolecularWeight: 495.33549

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)N2C=CC=C2)NC(=O)CCN3C(=C(C(=N3)C(F)(F)F)Br)C4CC4

Isomeric SMILES

CC(C1=CC=C(C=C1)N2C=CC=C2)NC(=O)CCN3C(=C(C(=N3)C(F)(F)F)Br)C4CC4

InChI

InChI=1S/C22H22BrF3N4O/c1-14(15-6-8-17(9-7-15)29-11-2-3-12-29)27-18(31)10-13-30-20(16-4-5-16)19(23)21(28-30)22(24,25)26/h2-3,6-9,11-12,14,16H,4-5,10,13H2,1H3,(H,27,31)