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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(2-imidazol-1-ylpyrimidin-4-yl)-4-(phenylmethyl)piperazin-2-yl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-benzyl-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]-4-(phenylmethyl)-2-piperazinyl]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-benzyl-1-(2-imidazol-1-ylpyrimidin-4-yl)piperazin-2-yl]acetamide Traditional Name: 2-[4-benzyl-1-(2-imidazol-1-ylpyrimidin-4-yl)piperazin-2-yl]-N-piperonyl-acetamide Formula: C28H29N7O3 MolecularWeight: 511.57496

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1CC2=CC=CC=C2)CC(=O)NCC3=CC4=C(C=C3)OCO4)C5=NC(=NC=C5)N6C=CN=C6

Isomeric SMILES

C1CN(C(CN1CC2=CC=CC=C2)CC(=O)NCC3=CC4=C(C=C3)OCO4)C5=NC(=NC=C5)N6C=CN=C6

InChI

InChI=1S/C28H29N7O3/c36-27(31-16-22-6-7-24-25(14-22)38-20-37-24)15-23-18-33(17-21-4-2-1-3-5-21)12-13-35(23)26-8-9-30-28(32-26)34-11-10-29-19-34/h1-11,14,19,23H,12-13,15-18,20H2,(H,31,36)