1-[(3S,5S)-5-[(4-bromophenyl)amino]-3-methyl-2-phenyl-pyrazolidin-1-yl]ethanone

Systemtic Name: 1-[(3S,5S)-5-[(4-bromophenyl)amino]-3-methyl-2-phenyl-pyrazolidin-1-yl]ethanone Openeye Name: 1-[(3S,5S)-5-(4-bromoanilino)-3-methyl-2-phenyl-pyrazolidin-1-yl]ethanone CAS Name: 1-[(3S,5S)-5-(4-bromoanilino)-3-methyl-2-phenyl-1-pyrazolidinyl]ethanone IUPAC Name: 1-[(3S,5S)-5-(4-bromoanilino)-3-methyl-2-phenylpyrazolidin-1-yl]ethanone Traditional Name: 1-[(3S,5S)-5-(4-bromoanilino)-3-methyl-2-phenyl-pyrazolidin-1-yl]ethanone Formula: C18H20BrN3O MolecularWeight: 374.2749

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(N(N1C2=CC=CC=C2)C(=O)C)NC3=CC=C(C=C3)Br

Isomeric SMILES

C[C@H]1C[C@H](N(N1C2=CC=CC=C2)C(=O)C)NC3=CC=C(C=C3)Br

InChI

InChI=1S/C18H20BrN3O/c1-13-12-18(20-16-10-8-15(19)9-11-16)22(14(2)23)21(13)17-6-4-3-5-7-17/h3-11,13,18,20H,12H2,1-2H3/t13-,18-/m0/s1