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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(2-imidazol-1-ylpyrimidin-4-yl)piperazin-2-yl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(2-imidazol-1-ylpyrimidin-4-yl)piperazin-2-yl]acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-[2-(1-imidazolyl)-4-pyrimidinyl]-2-piperazinyl]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(2-imidazol-1-ylpyrimidin-4-yl)piperazin-2-yl]acetamide Traditional Name: 2-[1-(2-imidazol-1-ylpyrimidin-4-yl)piperazin-2-yl]-N-piperonyl-acetamide Formula: C21H23N7O3 MolecularWeight: 421.45242

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1)CC(=O)NCC2=CC3=C(C=C2)OCO3)C4=NC(=NC=C4)N5C=CN=C5

Isomeric SMILES

C1CN(C(CN1)CC(=O)NCC2=CC3=C(C=C2)OCO3)C4=NC(=NC=C4)N5C=CN=C5

InChI

InChI=1S/C21H23N7O3/c29-20(25-11-15-1-2-17-18(9-15)31-14-30-17)10-16-12-22-6-8-28(16)19-3-4-24-21(26-19)27-7-5-23-13-27/h1-5,7,9,13,16,22H,6,8,10-12,14H2,(H,25,29)