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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(2-imidazol-1-yl-6-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-6-methyl-pyrimidin-4-yl)piperazin-2-yl]acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-[2-(1-imidazolyl)-6-methyl-4-pyrimidinyl]-1-(phenylmethyl)-2-piperazinyl]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-benzyl-4-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)piperazin-2-yl]acetamide Traditional Name: 2-[1-benzyl-4-(2-imidazol-1-yl-6-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=CC(=NC(=N1)N2C=CN=C2)N3CCN(C(C3)CC(=O)NCC4=CC5=C(C=C4)OCO5)CC6=CC=CC=C6

Isomeric SMILES

CC1=CC(=NC(=N1)N2C=CN=C2)N3CCN(C(C3)CC(=O)NCC4=CC5=C(C=C4)OCO5)CC6=CC=CC=C6

InChI

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