4-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)-N-[2-(4-methoxyphenyl)ethyl]-1-pyridin-3-ylcarbonyl-piperazine-2-carboxamide

Systemtic Name: 4-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)-N-[2-(4-methoxyphenyl)ethyl]-1-pyridin-3-ylcarbonyl-piperazine-2-carboxamide Openeye Name: 4-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-N-[2-(4-methoxyphenyl)ethyl]-1-(pyridine-3-carbonyl)piperazine-2-carboxamide CAS Name: 4-[6-chloro-2-(1-imidazolyl)-4-pyrimidinyl]-N-[2-(4-methoxyphenyl)ethyl]-1-[oxo(3-pyridinyl)methyl]-2-piperazinecarboxamide IUPAC Name: 4-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)-N-[2-(4-methoxyphenyl)ethyl]-1-(pyridine-3-carbonyl)piperazine-2-carboxamide Traditional Name: 4-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-N-[2-(4-methoxyphenyl)ethyl]-1-nicotinoyl-piperazine-2-carboxamide Formula: C27H27ClN8O3 MolecularWeight: 547.00808

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCNC(=O)C2CN(CCN2C(=O)C3=CN=CC=C3)C4=CC(=NC(=N4)N5C=CN=C5)Cl

Isomeric SMILES

COC1=CC=C(C=C1)CCNC(=O)C2CN(CCN2C(=O)C3=CN=CC=C3)C4=CC(=NC(=N4)N5C=CN=C5)Cl

InChI

InChI=1S/C27H27ClN8O3/c1-39-21-6-4-19(5-7-21)8-10-31-25(37)22-17-34(13-14-36(22)26(38)20-3-2-9-29-16-20)24-15-23(28)32-27(33-24)35-12-11-30-18-35/h2-7,9,11-12,15-16,18,22H,8,10,13-14,17H2,1H3,(H,31,37)