N3-(1,3-benzodioxol-5-ylmethyl)-4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-N1-(4-methoxyphenyl)piperazine-1,3-dicarboxamide

Systemtic Name: N3-(1,3-benzodioxol-5-ylmethyl)-4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-N1-(4-methoxyphenyl)piperazine-1,3-dicarboxamide Openeye Name: N3-(1,3-benzodioxol-5-ylmethyl)-4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-N1-(4-methoxyphenyl)piperazine-1,3-dicarboxamide CAS Name: N3-(1,3-benzodioxol-5-ylmethyl)-4-[2-(1-imidazolyl)-6-methyl-4-pyrimidinyl]-N1-(4-methoxyphenyl)piperazine-1,3-dicarboxamide IUPAC Name: 3-N-(1,3-benzodioxol-5-ylmethyl)-4-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-1-N-(4-methoxyphenyl)piperazine-1,3-dicarboxamide Traditional Name: 4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-N-(4-methoxyphenyl)-N'-piperonyl-piperazine-1,3-dicarboxamide Formula: C29H30N8O5 MolecularWeight: 570.5991

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2C=CN=C2)N3CCN(CC3C(=O)NCC4=CC5=C(C=C4)OCO5)C(=O)NC6=CC=C(C=C6)OC

Isomeric SMILES

CC1=CC(=NC(=N1)N2C=CN=C2)N3CCN(CC3C(=O)NCC4=CC5=C(C=C4)OCO5)C(=O)NC6=CC=C(C=C6)OC

InChI

InChI=1S/C29H30N8O5/c1-19-13-26(34-28(32-19)36-10-9-30-17-36)37-12-11-35(29(39)33-21-4-6-22(40-2)7-5-21)16-23(37)27(38)31-15-20-3-8-24-25(14-20)42-18-41-24/h3-10,13-14,17,23H,11-12,15-16,18H2,1-2H3,(H,31,38)(H,33,39)