diethyl-[(1S)-1-phenyl-2-[[1-(phenylmethyl)-3-pyridin-3-yl-pyrazol-4-yl]carbonylamino]ethyl]azanium

Systemtic Name: diethyl-[(1S)-1-phenyl-2-[[1-(phenylmethyl)-3-pyridin-3-yl-pyrazol-4-yl]carbonylamino]ethyl]azanium Openeye Name: [(1S)-2-[[1-benzyl-3-(3-pyridyl)pyrazole-4-carbonyl]amino]-1-phenyl-ethyl]-diethyl-ammonium CAS Name: diethyl-[(1S)-2-[[oxo-[1-(phenylmethyl)-3-(3-pyridinyl)-4-pyrazolyl]methyl]amino]-1-phenylethyl]ammonium IUPAC Name: [(1S)-2-[(1-benzyl-3-pyridin-3-ylpyrazole-4-carbonyl)amino]-1-phenylethyl]-diethylazanium Traditional Name: [(1S)-2-[[1-benzyl-3-(3-pyridyl)pyrazole-4-carbonyl]amino]-1-phenyl-ethyl]-diethyl-ammonium Formula: C28H32N5O+ MolecularWeight: 454.58658

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)C(CNC(=O)C1=CN(N=C1C2=CN=CC=C2)CC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC[NH+](CC)[C@H](CNC(=O)C1=CN(N=C1C2=CN=CC=C2)CC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H31N5O/c1-3-32(4-2)26(23-14-9-6-10-15-23)19-30-28(34)25-21-33(20-22-12-7-5-8-13-22)31-27(25)24-16-11-17-29-18-24/h5-18,21,26H,3-4,19-20H2,1-2H3,(H,30,34)/p+1/t26-/m1/s1