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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CCN(C(C1)CC(=O)NCC2=CC3=C(C=C2)OCO3)C4=NC(=NC(=C4)C(C)C)N5C=CN=C5

Isomeric SMILES

CCCCN1CCN(C(C1)CC(=O)NCC2=CC3=C(C=C2)OCO3)C4=NC(=NC(=C4)C(C)C)N5C=CN=C5

InChI

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