(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl-[(1R)-2-[(3-ethanoylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]-methyl-azanium

Systemtic Name: (3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl-[(1R)-2-[(3-ethanoylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]-methyl-azanium Openeye Name: [(1R)-2-(3-acetylanilino)-2-oxo-1-phenyl-ethyl]-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-methyl-ammonium CAS Name: [(1R)-2-(3-acetylanilino)-2-oxo-1-phenylethyl]-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl]-methylammonium IUPAC Name: [(1R)-2-(3-acetylanilino)-2-oxo-1-phenylethyl]-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-methylazanium Traditional Name: [(1R)-2-(3-acetylanilino)-2-keto-1-phenyl-ethyl]-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-methyl-ammonium Formula: C29H31N4O2+ MolecularWeight: 467.58204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C[NH+](C)C(C3=CC=CC=C3)C(=O)NC4=CC=CC(=C4)C(=O)C

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)C[NH+](C)[C@H](C3=CC=CC=C3)C(=O)NC4=CC=CC(=C4)C(=O)C

InChI

InChI=1S/C29H30N4O2/c1-20-27(21(2)33(31-20)26-16-9-6-10-17-26)19-32(4)28(23-12-7-5-8-13-23)29(35)30-25-15-11-14-24(18-25)22(3)34/h5-18,28H,19H2,1-4H3,(H,30,35)/p+1/t28-/m1/s1