3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]-N-ethyl-N-[(4-phenylmethoxyphenyl)methyl]propanamide

Systemtic Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]-N-ethyl-N-[(4-phenylmethoxyphenyl)methyl]propanamide Openeye Name: N-[(4-benzyloxyphenyl)methyl]-3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]-N-ethyl-propanamide CAS Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-4-pyrazolyl]-N-ethyl-N-[(4-phenylmethoxyphenyl)methyl]propanamide IUPAC Name: 3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]-N-ethyl-N-[(4-phenylmethoxyphenyl)methyl]propanamide Traditional Name: N-(4-benzoxybenzyl)-3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]-N-ethyl-propionamide Formula: C27H32N4O2 MolecularWeight: 444.56858

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=C(C=C1)OCC2=CC=CC=C2)C(=O)CCC3=C(N(N=C3C)CCC#N)C

Isomeric SMILES

CCN(CC1=CC=C(C=C1)OCC2=CC=CC=C2)C(=O)CCC3=C(N(N=C3C)CCC#N)C

InChI

InChI=1S/C27H32N4O2/c1-4-30(27(32)16-15-26-21(2)29-31(22(26)3)18-8-17-28)19-23-11-13-25(14-12-23)33-20-24-9-6-5-7-10-24/h5-7,9-14H,4,8,15-16,18-20H2,1-3H3