1-[(3R)-5-(4-bromophenyl)-3-(4-dimethylaminophenyl)-3,4-dihydropyrazol-2-yl]propan-1-one

Systemtic Name: 1-[(3R)-5-(4-bromophenyl)-3-(4-dimethylaminophenyl)-3,4-dihydropyrazol-2-yl]propan-1-one Openeye Name: 1-[(3R)-5-(4-bromophenyl)-3-(4-dimethylaminophenyl)-3,4-dihydropyrazol-2-yl]propan-1-one CAS Name: 1-[(3R)-5-(4-bromophenyl)-3-(4-dimethylaminophenyl)-3,4-dihydropyrazol-2-yl]-1-propanone IUPAC Name: 1-[(3R)-5-(4-bromophenyl)-3-(4-dimethylaminophenyl)-3,4-dihydropyrazol-2-yl]propan-1-one Traditional Name: 1-[(5R)-3-(4-bromophenyl)-5-(4-dimethylaminophenyl)-2-pyrazolin-1-yl]propan-1-one Formula: C20H22BrN3O MolecularWeight: 400.31218

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1C(CC(=N1)C2=CC=C(C=C2)Br)C3=CC=C(C=C3)N(C)C

Isomeric SMILES

CCC(=O)N1[C@H](CC(=N1)C2=CC=C(C=C2)Br)C3=CC=C(C=C3)N(C)C

InChI

InChI=1S/C20H22BrN3O/c1-4-20(25)24-19(15-7-11-17(12-8-15)23(2)3)13-18(22-24)14-5-9-16(21)10-6-14/h5-12,19H,4,13H2,1-3H3/t19-/m1/s1