(2R)-1-but-3-enoyl-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]piperidine-2-carboxamide

Systemtic Name: (2R)-1-but-3-enoyl-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]piperidine-2-carboxamide Openeye Name: (2R)-1-but-3-enoyl-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]piperidine-2-carboxamide CAS Name: (2R)-N-[4-(3,5-dimethyl-1-pyrazolyl)phenyl]-1-(1-oxobut-3-enyl)-2-piperidinecarboxamide IUPAC Name: (2R)-1-but-3-enoyl-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]piperidine-2-carboxamide Traditional Name: (2R)-1-but-3-enoyl-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]pipecolinamide Formula: C21H26N4O2 MolecularWeight: 366.45674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=CC=C(C=C2)NC(=O)C3CCCCN3C(=O)CC=C)C

Isomeric SMILES

CC1=CC(=NN1C2=CC=C(C=C2)NC(=O)[C@H]3CCCCN3C(=O)CC=C)C

InChI

InChI=1S/C21H26N4O2/c1-4-7-20(26)24-13-6-5-8-19(24)21(27)22-17-9-11-18(12-10-17)25-16(3)14-15(2)23-25/h4,9-12,14,19H,1,5-8,13H2,2-3H3,(H,22,27)/t19-/m1/s1