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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(2-imidazol-1-yl-5-methyl-pyrimidin-4-yl)-1-(phenylmethyl)piperazin-2-yl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-benzyl-4-(2-imidazol-1-yl-5-methyl-pyrimidin-4-yl)piperazin-2-yl]acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-[2-(1-imidazolyl)-5-methyl-4-pyrimidinyl]-1-(phenylmethyl)-2-piperazinyl]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-benzyl-4-(2-imidazol-1-yl-5-methylpyrimidin-4-yl)piperazin-2-yl]acetamide Traditional Name: 2-[1-benzyl-4-(2-imidazol-1-yl-5-methyl-pyrimidin-4-yl)piperazin-2-yl]-N-piperonyl-acetamide Formula: C29H31N7O3 MolecularWeight: 525.60154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N=C1N2CCN(C(C2)CC(=O)NCC3=CC4=C(C=C3)OCO4)CC5=CC=CC=C5)N6C=CN=C6

Isomeric SMILES

CC1=CN=C(N=C1N2CCN(C(C2)CC(=O)NCC3=CC4=C(C=C3)OCO4)CC5=CC=CC=C5)N6C=CN=C6

InChI

InChI=1S/C29H31N7O3/c1-21-15-32-29(36-10-9-30-19-36)33-28(21)35-12-11-34(17-22-5-3-2-4-6-22)24(18-35)14-27(37)31-16-23-7-8-25-26(13-23)39-20-38-25/h2-10,13,15,19,24H,11-12,14,16-18,20H2,1H3,(H,31,37)