3-[[(E)-3-[2,5-dimethyl-1-(2-propan-2-ylpyrazol-3-yl)pyrrol-3-yl]prop-2-enoyl]amino]benzamide

Systemtic Name: 3-[[(E)-3-[2,5-dimethyl-1-(2-propan-2-ylpyrazol-3-yl)pyrrol-3-yl]prop-2-enoyl]amino]benzamide Openeye Name: 3-[[(E)-3-[1-(2-isopropylpyrazol-3-yl)-2,5-dimethyl-pyrrol-3-yl]prop-2-enoyl]amino]benzamide CAS Name: 3-[[(E)-3-[2,5-dimethyl-1-(2-propan-2-yl-3-pyrazolyl)-3-pyrrolyl]-1-oxoprop-2-enyl]amino]benzamide IUPAC Name: 3-[[(E)-3-[2,5-dimethyl-1-(2-propan-2-ylpyrazol-3-yl)pyrrol-3-yl]prop-2-enoyl]amino]benzamide Traditional Name: 3-[[(E)-3-[1-(2-isopropylpyrazol-3-yl)-2,5-dimethyl-pyrrol-3-yl]acryloyl]amino]benzamide Formula: C22H25N5O2 MolecularWeight: 391.4662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=NN2C(C)C)C)C=CC(=O)NC3=CC=CC(=C3)C(=O)N

Isomeric SMILES

CC1=CC(=C(N1C2=CC=NN2C(C)C)C)/C=C/C(=O)NC3=CC=CC(=C3)C(=O)N

InChI

InChI=1S/C22H25N5O2/c1-14(2)27-21(10-11-24-27)26-15(3)12-17(16(26)4)8-9-20(28)25-19-7-5-6-18(13-19)22(23)29/h5-14H,1-4H3,(H2,23,29)(H,25,28)/b9-8+