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

Systemtic Name: N-[2-[3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]propanoylamino]ethyl]-3-methoxy-benzamide Openeye Name: N-[2-[3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]propanoylamino]ethyl]-3-methoxy-benzamide CAS Name: N-[2-[[3-[1-(2-cyanoethyl)-3,5-dimethyl-4-pyrazolyl]-1-oxopropyl]amino]ethyl]-3-methoxybenzamide IUPAC Name: N-[2-[3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]propanoylamino]ethyl]-3-methoxybenzamide Traditional Name: N-[2-[3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]propanoylamino]ethyl]-3-methoxy-benzamide Formula: C21H27N5O3 MolecularWeight: 397.47078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCC#N)C)CCC(=O)NCCNC(=O)C2=CC(=CC=C2)OC

Isomeric SMILES

CC1=C(C(=NN1CCC#N)C)CCC(=O)NCCNC(=O)C2=CC(=CC=C2)OC

InChI

InChI=1S/C21H27N5O3/c1-15-19(16(2)26(25-15)13-5-10-22)8-9-20(27)23-11-12-24-21(28)17-6-4-7-18(14-17)29-3/h4,6-7,14H,5,8-9,11-13H2,1-3H3,(H,23,27)(H,24,28)