1-[(3S)-5-(1,3-benzodioxol-5-yl)-3-(4-bromophenyl)-1,3-dihydropyrazol-2-yl]ethanone

Systemtic Name: 1-[(3S)-5-(1,3-benzodioxol-5-yl)-3-(4-bromophenyl)-1,3-dihydropyrazol-2-yl]ethanone Openeye Name: 1-[(3S)-5-(1,3-benzodioxol-5-yl)-3-(4-bromophenyl)-1,3-dihydropyrazol-2-yl]ethanone CAS Name: 1-[(3S)-5-(1,3-benzodioxol-5-yl)-3-(4-bromophenyl)-1,3-dihydropyrazol-2-yl]ethanone IUPAC Name: 1-[(3S)-5-(1,3-benzodioxol-5-yl)-3-(4-bromophenyl)-1,3-dihydropyrazol-2-yl]ethanone Traditional Name: 1-[(5S)-3-(1,3-benzodioxol-5-yl)-5-(4-bromophenyl)-3-pyrazolin-1-yl]ethanone Formula: C18H15BrN2O3 MolecularWeight: 387.2273

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(C=C(N1)C2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)Br

Isomeric SMILES

CC(=O)N1[C@@H](C=C(N1)C2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C18H15BrN2O3/c1-11(22)21-16(12-2-5-14(19)6-3-12)9-15(20-21)13-4-7-17-18(8-13)24-10-23-17/h2-9,16,20H,10H2,1H3/t16-/m0/s1