N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-[4-butyl-1-(2-imidazol-1-ylpyrimidin-4-yl)piperazin-2-yl]ethanamide

Systemtic Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-[4-butyl-1-(2-imidazol-1-ylpyrimidin-4-yl)piperazin-2-yl]ethanamide Openeye Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-[4-butyl-1-(2-imidazol-1-ylpyrimidin-4-yl)piperazin-2-yl]acetamide CAS Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-[4-butyl-1-[2-(1-imidazolyl)-4-pyrimidinyl]-2-piperazinyl]acetamide IUPAC Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-[4-butyl-1-(2-imidazol-1-ylpyrimidin-4-yl)piperazin-2-yl]acetamide Traditional Name: 2-[4-butyl-1-(2-imidazol-1-ylpyrimidin-4-yl)piperazin-2-yl]-N-homopiperonyl-acetamide Formula: C26H33N7O3 MolecularWeight: 491.58532

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CCN(C(C1)CC(=O)NCCC2=CC3=C(C=C2)OCO3)C4=NC(=NC=C4)N5C=CN=C5

Isomeric SMILES

CCCCN1CCN(C(C1)CC(=O)NCCC2=CC3=C(C=C2)OCO3)C4=NC(=NC=C4)N5C=CN=C5

InChI

InChI=1S/C26H33N7O3/c1-2-3-11-31-13-14-33(24-7-9-29-26(30-24)32-12-10-27-18-32)21(17-31)16-25(34)28-8-6-20-4-5-22-23(15-20)36-19-35-22/h4-5,7,9-10,12,15,18,21H,2-3,6,8,11,13-14,16-17,19H2,1H3,(H,28,34)