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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=CC=CC=C1CNC(=O)C2=CN(N=C2C3=CN=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC[NH+](CC)CC1=CC=CC=C1CNC(=O)C2=CN(N=C2C3=CN=CC=C3)C4=CC=CC=C4

InChI

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