2-[[(E)-3-(1-phenyl-3-pyridin-3-yl-pyrazol-4-yl)prop-2-enoyl]amino]ethyl-di(propan-2-yl)azanium

Systemtic Name: 2-[[(E)-3-(1-phenyl-3-pyridin-3-yl-pyrazol-4-yl)prop-2-enoyl]amino]ethyl-di(propan-2-yl)azanium Openeye Name: diisopropyl-[2-[[(E)-3-[1-phenyl-3-(3-pyridyl)pyrazol-4-yl]prop-2-enoyl]amino]ethyl]ammonium CAS Name: 2-[[(E)-1-oxo-3-[1-phenyl-3-(3-pyridinyl)-4-pyrazolyl]prop-2-enyl]amino]ethyl-di(propan-2-yl)ammonium IUPAC Name: 2-[[(E)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enoyl]amino]ethyl-di(propan-2-yl)azanium Traditional Name: diisopropyl-[2-[[(E)-3-[1-phenyl-3-(3-pyridyl)pyrazol-4-yl]acryloyl]amino]ethyl]ammonium Formula: C25H32N5O+ MolecularWeight: 418.55448

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](CCNC(=O)C=CC1=CN(N=C1C2=CN=CC=C2)C3=CC=CC=C3)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C25H31N5O/c1-19(2)29(20(3)4)16-15-27-24(31)13-12-22-18-30(23-10-6-5-7-11-23)28-25(22)21-9-8-14-26-17-21/h5-14,17-20H,15-16H2,1-4H3,(H,27,31)/p+1/b13-12+