N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-[2-cyanoethyl-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)amino]ethanamide

Systemtic Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-[2-cyanoethyl-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)amino]ethanamide Openeye Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-[2-cyanoethyl-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)amino]acetamide CAS Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-[2-cyanoethyl-[2-(1-imidazolyl)-6-methyl-4-pyrimidinyl]amino]acetamide IUPAC Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-[2-cyanoethyl-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)amino]acetamide Traditional Name: 2-[2-cyanoethyl-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)amino]-N-homopiperonyl-acetamide Formula: C22H23N7O3 MolecularWeight: 433.46312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2C=CN=C2)N(CCC#N)CC(=O)NCCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC(=NC(=N1)N2C=CN=C2)N(CCC#N)CC(=O)NCCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H23N7O3/c1-16-11-20(27-22(26-16)29-10-8-24-14-29)28(9-2-6-23)13-21(30)25-7-5-17-3-4-18-19(12-17)32-15-31-18/h3-4,8,10-12,14H,2,5,7,9,13,15H2,1H3,(H,25,30)