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

Systemtic Name: diethyl-[[4-[[(1-phenyl-3-pyridin-3-yl-pyrazol-4-yl)carbonylamino]methyl]phenyl]methyl]azanium Openeye Name: diethyl-[[4-[[[1-phenyl-3-(3-pyridyl)pyrazole-4-carbonyl]amino]methyl]phenyl]methyl]ammonium CAS Name: diethyl-[[4-[[[oxo-[1-phenyl-3-(3-pyridinyl)-4-pyrazolyl]methyl]amino]methyl]phenyl]methyl]ammonium IUPAC Name: diethyl-[[4-[[(1-phenyl-3-pyridin-3-ylpyrazole-4-carbonyl)amino]methyl]phenyl]methyl]azanium Traditional Name: diethyl-[4-[[[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=C(C=C1)CNC(=O)C2=CN(N=C2C3=CN=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC[NH+](CC)CC1=CC=C(C=C1)CNC(=O)C2=CN(N=C2C3=CN=CC=C3)C4=CC=CC=C4

InChI

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