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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1CCN(C(C1)CC(=O)NCC2=CC3=C(C=C2)OCO3)C4=NC(=NC=C4)N5C=CN=C5

Isomeric SMILES

CC(C)CCN1CCN(C(C1)CC(=O)NCC2=CC3=C(C=C2)OCO3)C4=NC(=NC=C4)N5C=CN=C5

InChI

InChI=1S/C26H33N7O3/c1-19(2)6-9-31-11-12-33(24-5-7-28-26(30-24)32-10-8-27-17-32)21(16-31)14-25(34)29-15-20-3-4-22-23(13-20)36-18-35-22/h3-5,7-8,10,13,17,19,21H,6,9,11-12,14-16,18H2,1-2H3,(H,29,34)