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

Systemtic Name: 2-[[1-(phenylmethyl)-3-pyridin-3-yl-pyrazol-4-yl]carbonylamino]ethyl-di(propan-2-yl)azanium Openeye Name: 2-[[1-benzyl-3-(3-pyridyl)pyrazole-4-carbonyl]amino]ethyl-diisopropyl-ammonium CAS Name: 2-[[oxo-[1-(phenylmethyl)-3-(3-pyridinyl)-4-pyrazolyl]methyl]amino]ethyl-di(propan-2-yl)ammonium IUPAC Name: 2-[(1-benzyl-3-pyridin-3-ylpyrazole-4-carbonyl)amino]ethyl-di(propan-2-yl)azanium Traditional Name: 2-[[1-benzyl-3-(3-pyridyl)pyrazole-4-carbonyl]amino]ethyl-diisopropyl-ammonium Formula: C24H32N5O+ MolecularWeight: 406.54378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31N5O/c1-18(2)29(19(3)4)14-13-26-24(30)22-17-28(16-20-9-6-5-7-10-20)27-23(22)21-11-8-12-25-15-21/h5-12,15,17-19H,13-14,16H2,1-4H3,(H,26,30)/p+1