1-[(3S)-3-anthracen-9-yl-5-(4-bromophenyl)-3,4-dihydropyrazol-2-yl]ethanone

Systemtic Name: 1-[(3S)-3-anthracen-9-yl-5-(4-bromophenyl)-3,4-dihydropyrazol-2-yl]ethanone Openeye Name: 1-[(3S)-3-(9-anthryl)-5-(4-bromophenyl)-3,4-dihydropyrazol-2-yl]ethanone CAS Name: 1-[(3S)-3-(9-anthracenyl)-5-(4-bromophenyl)-3,4-dihydropyrazol-2-yl]ethanone IUPAC Name: 1-[(3S)-3-anthracen-9-yl-5-(4-bromophenyl)-3,4-dihydropyrazol-2-yl]ethanone Traditional Name: 1-[(5S)-5-(9-anthryl)-3-(4-bromophenyl)-2-pyrazolin-1-yl]ethanone Formula: C25H19BrN2O MolecularWeight: 443.33516

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(CC(=N1)C2=CC=C(C=C2)Br)C3=C4C=CC=CC4=CC5=CC=CC=C53

Isomeric SMILES

CC(=O)N1[C@@H](CC(=N1)C2=CC=C(C=C2)Br)C3=C4C=CC=CC4=CC5=CC=CC=C53

InChI

InChI=1S/C25H19BrN2O/c1-16(29)28-24(15-23(27-28)17-10-12-20(26)13-11-17)25-21-8-4-2-6-18(21)14-19-7-3-5-9-22(19)25/h2-14,24H,15H2,1H3/t24-/m0/s1