N-(1,3-benzodioxol-5-ylmethyl)-4-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)-1-pyridin-3-ylcarbonyl-piperazine-2-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)-1-pyridin-3-ylcarbonyl-piperazine-2-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-1-(pyridine-3-carbonyl)piperazine-2-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[6-chloro-2-(1-imidazolyl)-4-pyrimidinyl]-1-[oxo(3-pyridinyl)methyl]-2-piperazinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)-1-(pyridine-3-carbonyl)piperazine-2-carboxamide Traditional Name: 4-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-1-nicotinoyl-N-piperonyl-piperazine-2-carboxamide Formula: C26H23ClN8O4 MolecularWeight: 546.96502

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1C2=CC(=NC(=N2)N3C=CN=C3)Cl)C(=O)NCC4=CC5=C(C=C4)OCO5)C(=O)C6=CN=CC=C6

Isomeric SMILES

C1CN(C(CN1C2=CC(=NC(=N2)N3C=CN=C3)Cl)C(=O)NCC4=CC5=C(C=C4)OCO5)C(=O)C6=CN=CC=C6

InChI

InChI=1S/C26H23ClN8O4/c27-22-11-23(32-26(31-22)34-7-6-29-15-34)33-8-9-35(25(37)18-2-1-5-28-13-18)19(14-33)24(36)30-12-17-3-4-20-21(10-17)39-16-38-20/h1-7,10-11,13,15,19H,8-9,12,14,16H2,(H,30,36)