3-[3-(3-bromophenyl)-4-[(E)-2-cyano-3-(4-methylpiperidin-1-yl)-3-oxidanylidene-prop-1-enyl]pyrazol-1-yl]propanamide

Systemtic Name: 3-[3-(3-bromophenyl)-4-[(E)-2-cyano-3-(4-methylpiperidin-1-yl)-3-oxidanylidene-prop-1-enyl]pyrazol-1-yl]propanamide Openeye Name: 3-[3-(3-bromophenyl)-4-[(E)-2-cyano-3-(4-methyl-1-piperidyl)-3-oxo-prop-1-enyl]pyrazol-1-yl]propanamide CAS Name: 3-[3-(3-bromophenyl)-4-[(E)-2-cyano-3-(4-methyl-1-piperidinyl)-3-oxoprop-1-enyl]-1-pyrazolyl]propanamide IUPAC Name: 3-[3-(3-bromophenyl)-4-[(E)-2-cyano-3-(4-methylpiperidin-1-yl)-3-oxoprop-1-enyl]pyrazol-1-yl]propanamide Traditional Name: 3-[3-(3-bromophenyl)-4-[(E)-2-cyano-3-keto-3-(4-methylpiperidino)prop-1-enyl]pyrazol-1-yl]propionamide Formula: C22H24BrN5O2 MolecularWeight: 470.36226

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)C(=CC2=CN(N=C2C3=CC(=CC=C3)Br)CCC(=O)N)C#N

Isomeric SMILES

CC1CCN(CC1)C(=O)/C(=C/C2=CN(N=C2C3=CC(=CC=C3)Br)CCC(=O)N)/C#N

InChI

InChI=1S/C22H24BrN5O2/c1-15-5-8-27(9-6-15)22(30)17(13-24)11-18-14-28(10-7-20(25)29)26-21(18)16-3-2-4-19(23)12-16/h2-4,11-12,14-15H,5-10H2,1H3,(H2,25,29)/b17-11+