N-[1-(1,3-benzodioxol-5-yl)pentan-2-yl]-2-[1-(2-imidazol-1-yl-6-propan-2-yl-pyrimidin-4-yl)piperazin-2-yl]ethanamide

Systemtic Name: N-[1-(1,3-benzodioxol-5-yl)pentan-2-yl]-2-[1-(2-imidazol-1-yl-6-propan-2-yl-pyrimidin-4-yl)piperazin-2-yl]ethanamide Openeye Name: N-[1-(1,3-benzodioxol-5-ylmethyl)butyl]-2-[1-(2-imidazol-1-yl-6-isopropyl-pyrimidin-4-yl)piperazin-2-yl]acetamide CAS Name: N-[1-(1,3-benzodioxol-5-yl)pentan-2-yl]-2-[1-[2-(1-imidazolyl)-6-propan-2-yl-4-pyrimidinyl]-2-piperazinyl]acetamide IUPAC Name: N-[1-(1,3-benzodioxol-5-yl)pentan-2-yl]-2-[1-(2-imidazol-1-yl-6-propan-2-ylpyrimidin-4-yl)piperazin-2-yl]acetamide Traditional Name: 2-[1-(2-imidazol-1-yl-6-isopropyl-pyrimidin-4-yl)piperazin-2-yl]-N-(1-piperonylbutyl)acetamide Formula: C28H37N7O3 MolecularWeight: 519.63848

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC1=CC2=C(C=C1)OCO2)NC(=O)CC3CNCCN3C4=NC(=NC(=C4)C(C)C)N5C=CN=C5

Isomeric SMILES

CCCC(CC1=CC2=C(C=C1)OCO2)NC(=O)CC3CNCCN3C4=NC(=NC(=C4)C(C)C)N5C=CN=C5

InChI

InChI=1S/C28H37N7O3/c1-4-5-21(12-20-6-7-24-25(13-20)38-18-37-24)31-27(36)14-22-16-29-9-11-35(22)26-15-23(19(2)3)32-28(33-26)34-10-8-30-17-34/h6-8,10,13,15,17,19,21-22,29H,4-5,9,11-12,14,16,18H2,1-3H3,(H,31,36)