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

Systemtic Name: 2-[(1-phenyl-3-pyridin-3-yl-pyrazol-4-yl)carbonylamino]ethyl-di(propan-2-yl)azanium Openeye Name: diisopropyl-[2-[[1-phenyl-3-(3-pyridyl)pyrazole-4-carbonyl]amino]ethyl]ammonium CAS Name: 2-[[oxo-[1-phenyl-3-(3-pyridinyl)-4-pyrazolyl]methyl]amino]ethyl-di(propan-2-yl)ammonium IUPAC Name: 2-[(1-phenyl-3-pyridin-3-ylpyrazole-4-carbonyl)amino]ethyl-di(propan-2-yl)azanium Traditional Name: diisopropyl-[2-[[1-phenyl-3-(3-pyridyl)pyrazole-4-carbonyl]amino]ethyl]ammonium Formula: C23H30N5O+ MolecularWeight: 392.5172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N5O/c1-17(2)27(18(3)4)14-13-25-23(29)21-16-28(20-10-6-5-7-11-20)26-22(21)19-9-8-12-24-15-19/h5-12,15-18H,13-14H2,1-4H3,(H,25,29)/p+1