(3S)-3-[[(5R)-3-(3-phenoxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]amino]butan-2-one

Systemtic Name: (3S)-3-[[(5R)-3-(3-phenoxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]amino]butan-2-one Openeye Name: (3S)-3-[[(5R)-3-(3-phenoxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]amino]butan-2-one CAS Name: (3S)-3-[[(5R)-3-(3-phenoxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]amino]-2-butanone IUPAC Name: (3S)-3-[[(5R)-3-(3-phenoxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]amino]butan-2-one Traditional Name: (3S)-3-[[(3R)-5-(3-phenoxyphenyl)-2-pyrazolin-3-yl]amino]butan-2-one Formula: C19H21N3O2 MolecularWeight: 323.38894

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C)NC1CC(=NN1)C2=CC(=CC=C2)OC3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)C)N[C@H]1CC(=NN1)C2=CC(=CC=C2)OC3=CC=CC=C3

InChI

InChI=1S/C19H21N3O2/c1-13(14(2)23)20-19-12-18(21-22-19)15-7-6-10-17(11-15)24-16-8-4-3-5-9-16/h3-11,13,19-20,22H,12H2,1-2H3/t13-,19+/m0/s1