(E)-N-(1,3-benzodioxol-5-ylmethyl)-4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-4-methyl-pent-2-enamide

Systemtic Name: (E)-N-(1,3-benzodioxol-5-ylmethyl)-4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-4-methyl-pent-2-enamide Openeye Name: (E)-N-(1,3-benzodioxol-5-ylmethyl)-4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-4-methyl-pent-2-enamide CAS Name: (E)-N-(1,3-benzodioxol-5-ylmethyl)-4-[2-(1-imidazolyl)-6-methyl-4-pyrimidinyl]-4-methyl-2-pentenamide IUPAC Name: (E)-N-(1,3-benzodioxol-5-ylmethyl)-4-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-4-methylpent-2-enamide Traditional Name: (E)-4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-4-methyl-N-piperonyl-pent-2-enamide Formula: C22H23N5O3 MolecularWeight: 405.44972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2C=CN=C2)C(C)(C)C=CC(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC(=NC(=N1)N2C=CN=C2)C(C)(C)/C=C/C(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H23N5O3/c1-15-10-19(26-21(25-15)27-9-8-23-13-27)22(2,3)7-6-20(28)24-12-16-4-5-17-18(11-16)30-14-29-17/h4-11,13H,12,14H2,1-3H3,(H,24,28)/b7-6+