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

Systemtic Name: diethyl-[(1S)-1-phenyl-2-[(1-phenyl-3-pyridin-3-yl-pyrazol-4-yl)carbonylamino]ethyl]azanium Openeye Name: diethyl-[(1S)-1-phenyl-2-[[1-phenyl-3-(3-pyridyl)pyrazole-4-carbonyl]amino]ethyl]ammonium CAS Name: diethyl-[(1S)-2-[[oxo-[1-phenyl-3-(3-pyridinyl)-4-pyrazolyl]methyl]amino]-1-phenylethyl]ammonium IUPAC Name: diethyl-[(1S)-1-phenyl-2-[(1-phenyl-3-pyridin-3-ylpyrazole-4-carbonyl)amino]ethyl]azanium Traditional Name: diethyl-[(1S)-1-phenyl-2-[[1-phenyl-3-(3-pyridyl)pyrazole-4-carbonyl]amino]ethyl]ammonium Formula: C27H30N5O+ MolecularWeight: 440.56

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H29N5O/c1-3-31(4-2)25(21-12-7-5-8-13-21)19-29-27(33)24-20-32(23-15-9-6-10-16-23)30-26(24)22-14-11-17-28-18-22/h5-18,20,25H,3-4,19H2,1-2H3,(H,29,33)/p+1/t25-/m1/s1