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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-4-(2-phenoxyethanoyl)piperazin-2-yl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-4-(2-phenoxyacetyl)piperazin-2-yl]acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-[2-(1-imidazolyl)-6-methyl-4-pyrimidinyl]-4-(1-oxo-2-phenoxyethyl)-2-piperazinyl]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-4-(2-phenoxyacetyl)piperazin-2-yl]acetamide Traditional Name: 2-[1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-4-(2-phenoxyacetyl)piperazin-2-yl]-N-piperonyl-acetamide Formula: C30H31N7O5 MolecularWeight: 569.61104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2C=CN=C2)N3CCN(CC3CC(=O)NCC4=CC5=C(C=C4)OCO5)C(=O)COC6=CC=CC=C6

Isomeric SMILES

CC1=CC(=NC(=N1)N2C=CN=C2)N3CCN(CC3CC(=O)NCC4=CC5=C(C=C4)OCO5)C(=O)COC6=CC=CC=C6

InChI

InChI=1S/C30H31N7O5/c1-21-13-27(34-30(33-21)36-10-9-31-19-36)37-12-11-35(29(39)18-40-24-5-3-2-4-6-24)17-23(37)15-28(38)32-16-22-7-8-25-26(14-22)42-20-41-25/h2-10,13-14,19,23H,11-12,15-18,20H2,1H3,(H,32,38)