1-[2-(1,3-benzodioxol-5-yl)ethanoyl]-4-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)-N-(2-phenylcyclopropyl)piperazine-2-carboxamide

Systemtic Name: 1-[2-(1,3-benzodioxol-5-yl)ethanoyl]-4-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)-N-(2-phenylcyclopropyl)piperazine-2-carboxamide Openeye Name: 1-[2-(1,3-benzodioxol-5-yl)acetyl]-4-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-N-(2-phenylcyclopropyl)piperazine-2-carboxamide CAS Name: 1-[2-(1,3-benzodioxol-5-yl)-1-oxoethyl]-4-[6-chloro-2-(1-imidazolyl)-4-pyrimidinyl]-N-(2-phenylcyclopropyl)-2-piperazinecarboxamide IUPAC Name: 1-[2-(1,3-benzodioxol-5-yl)acetyl]-4-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)-N-(2-phenylcyclopropyl)piperazine-2-carboxamide Traditional Name: 1-[2-(1,3-benzodioxol-5-yl)acetyl]-4-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-N-(2-phenylcyclopropyl)piperazine-2-carboxamide Formula: C30H28ClN7O4 MolecularWeight: 586.04082

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1C2=CC(=NC(=N2)N3C=CN=C3)Cl)C(=O)NC4CC4C5=CC=CC=C5)C(=O)CC6=CC7=C(C=C6)OCO7

Isomeric SMILES

C1CN(C(CN1C2=CC(=NC(=N2)N3C=CN=C3)Cl)C(=O)NC4CC4C5=CC=CC=C5)C(=O)CC6=CC7=C(C=C6)OCO7

InChI

InChI=1S/C30H28ClN7O4/c31-26-15-27(35-30(34-26)37-9-8-32-17-37)36-10-11-38(28(39)13-19-6-7-24-25(12-19)42-18-41-24)23(16-36)29(40)33-22-14-21(22)20-4-2-1-3-5-20/h1-9,12,15,17,21-23H,10-11,13-14,16,18H2,(H,33,40)