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

Systemtic Name: 4-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)-N-[(4-methoxyphenyl)methyl]-1-(pyridin-3-ylmethyl)piperazine-2-carboxamide Openeye Name: 4-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-N-[(4-methoxyphenyl)methyl]-1-(3-pyridylmethyl)piperazine-2-carboxamide CAS Name: 4-[6-chloro-2-(1-imidazolyl)-4-pyrimidinyl]-N-[(4-methoxyphenyl)methyl]-1-(3-pyridinylmethyl)-2-piperazinecarboxamide IUPAC Name: 4-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)-N-[(4-methoxyphenyl)methyl]-1-(pyridin-3-ylmethyl)piperazine-2-carboxamide Traditional Name: 4-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-N-p-anisyl-1-(3-pyridylmethyl)piperazine-2-carboxamide Formula: C26H27ClN8O2 MolecularWeight: 518.99798

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC(=O)C2CN(CCN2CC3=CN=CC=C3)C4=CC(=NC(=N4)N5C=CN=C5)Cl

Isomeric SMILES

COC1=CC=C(C=C1)CNC(=O)C2CN(CCN2CC3=CN=CC=C3)C4=CC(=NC(=N4)N5C=CN=C5)Cl

InChI

InChI=1S/C26H27ClN8O2/c1-37-21-6-4-19(5-7-21)15-30-25(36)22-17-34(12-11-33(22)16-20-3-2-8-28-14-20)24-13-23(27)31-26(32-24)35-10-9-29-18-35/h2-10,13-14,18,22H,11-12,15-17H2,1H3,(H,30,36)