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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-[(3,4-dichlorophenyl)methyl]-1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)piperazin-2-yl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-[(3,4-dichlorophenyl)methyl]-1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)piperazin-2-yl]acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-[(3,4-dichlorophenyl)methyl]-1-[2-(1-imidazolyl)-6-methyl-4-pyrimidinyl]-2-piperazinyl]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-[(3,4-dichlorophenyl)methyl]-1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)piperazin-2-yl]acetamide Traditional Name: 2-[4-(3,4-dichlorobenzyl)-1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)piperazin-2-yl]-N-piperonyl-acetamide Formula: C29H29Cl2N7O3 MolecularWeight: 594.49166

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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)CC6=CC(=C(C=C6)Cl)Cl

Isomeric SMILES

CC1=CC(=NC(=N1)N2C=CN=C2)N3CCN(CC3CC(=O)NCC4=CC5=C(C=C4)OCO5)CC6=CC(=C(C=C6)Cl)Cl

InChI

InChI=1S/C29H29Cl2N7O3/c1-19-10-27(35-29(34-19)37-7-6-32-17-37)38-9-8-36(15-21-2-4-23(30)24(31)11-21)16-22(38)13-28(39)33-14-20-3-5-25-26(12-20)41-18-40-25/h2-7,10-12,17,22H,8-9,13-16,18H2,1H3,(H,33,39)