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

Systemtic Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-[4-butyl-1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)piperazin-2-yl]ethanamide Openeye Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-[4-butyl-1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)piperazin-2-yl]acetamide CAS Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-[4-butyl-1-[2-(1-imidazolyl)-6-methyl-4-pyrimidinyl]-2-piperazinyl]acetamide IUPAC Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-[4-butyl-1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)piperazin-2-yl]acetamide Traditional Name: 2-[4-butyl-1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)piperazin-2-yl]-N-homopiperonyl-acetamide Formula: C27H35N7O3 MolecularWeight: 505.6119

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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)C)N5C=CN=C5

Isomeric SMILES

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

InChI

InChI=1S/C27H35N7O3/c1-3-4-10-32-12-13-34(25-14-20(2)30-27(31-25)33-11-9-28-18-33)22(17-32)16-26(35)29-8-7-21-5-6-23-24(15-21)37-19-36-23/h5-6,9,11,14-15,18,22H,3-4,7-8,10,12-13,16-17,19H2,1-2H3,(H,29,35)