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

Systemtic Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-[(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-propan-2-yl-amino]ethanamide Openeye Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-[(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-isopropyl-amino]acetamide CAS Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-[[2-(1-imidazolyl)-6-methyl-4-pyrimidinyl]-propan-2-ylamino]acetamide IUPAC Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-[(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-propan-2-ylamino]acetamide Traditional Name: N-homopiperonyl-2-[(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-isopropyl-amino]acetamide Formula: C22H26N6O3 MolecularWeight: 422.48024

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N6O3/c1-15(2)28(20-10-16(3)25-22(26-20)27-9-8-23-13-27)12-21(29)24-7-6-17-4-5-18-19(11-17)31-14-30-18/h4-5,8-11,13,15H,6-7,12,14H2,1-3H3,(H,24,29)