1-(1,3-benzodioxol-5-ylmethyl)-4-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)-N'-(2-phenylcyclopropyl)piperazine-2-carbohydrazide

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)-N'-(2-phenylcyclopropyl)piperazine-2-carbohydrazide Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-N'-(2-phenylcyclopropyl)piperazine-2-carbohydrazide CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[6-chloro-2-(1-imidazolyl)-4-pyrimidinyl]-N'-(2-phenylcyclopropyl)-2-piperazinecarbohydrazide IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)-N'-(2-phenylcyclopropyl)piperazine-2-carbohydrazide Traditional Name: 4-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-N'-(2-phenylcyclopropyl)-1-piperonyl-piperazine-2-carbohydrazide Formula: C29H29ClN8O3 MolecularWeight: 573.04536

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1C2=CC(=NC(=N2)N3C=CN=C3)Cl)C(=O)NNC4CC4C5=CC=CC=C5)CC6=CC7=C(C=C6)OCO7

Isomeric SMILES

C1CN(C(CN1C2=CC(=NC(=N2)N3C=CN=C3)Cl)C(=O)NNC4CC4C5=CC=CC=C5)CC6=CC7=C(C=C6)OCO7

InChI

InChI=1S/C29H29ClN8O3/c30-26-14-27(33-29(32-26)38-9-8-31-17-38)37-11-10-36(15-19-6-7-24-25(12-19)41-18-40-24)23(16-37)28(39)35-34-22-13-21(22)20-4-2-1-3-5-20/h1-9,12,14,17,21-23,34H,10-11,13,15-16,18H2,(H,35,39)