3-[3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]propanoylamino]-N,N-diethyl-benzamide

Systemtic Name: 3-[3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]propanoylamino]-N,N-diethyl-benzamide Openeye Name: 3-[3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]propanoylamino]-N,N-diethyl-benzamide CAS Name: 3-[[3-[1-(2-cyanoethyl)-3,5-dimethyl-4-pyrazolyl]-1-oxopropyl]amino]-N,N-diethylbenzamide IUPAC Name: 3-[3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]propanoylamino]-N,N-diethylbenzamide Traditional Name: 3-[3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]propanoylamino]-N,N-diethyl-benzamide Formula: C22H29N5O2 MolecularWeight: 395.49796

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC(=CC=C1)NC(=O)CCC2=C(N(N=C2C)CCC#N)C

Isomeric SMILES

CCN(CC)C(=O)C1=CC(=CC=C1)NC(=O)CCC2=C(N(N=C2C)CCC#N)C

InChI

InChI=1S/C22H29N5O2/c1-5-26(6-2)22(29)18-9-7-10-19(15-18)24-21(28)12-11-20-16(3)25-27(17(20)4)14-8-13-23/h7,9-10,15H,5-6,8,11-12,14H2,1-4H3,(H,24,28)