phenyl 4-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)-2-[(4-methoxyphenyl)methylcarbamoyl]piperazine-1-carboxylate

Systemtic Name: phenyl 4-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)-2-[(4-methoxyphenyl)methylcarbamoyl]piperazine-1-carboxylate Openeye Name: phenyl 4-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-2-[(4-methoxyphenyl)methylcarbamoyl]piperazine-1-carboxylate CAS Name: 4-[6-chloro-2-(1-imidazolyl)-4-pyrimidinyl]-2-[[(4-methoxyphenyl)methylamino]-oxomethyl]-1-piperazinecarboxylic acid phenyl ester IUPAC Name: phenyl 4-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)-2-[(4-methoxyphenyl)methylcarbamoyl]piperazine-1-carboxylate Traditional Name: 4-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-2-(p-anisylcarbamoyl)piperazine-1-carboxylic acid phenyl ester Formula: C27H26ClN7O4 MolecularWeight: 547.99284

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC(=O)C2CN(CCN2C(=O)OC3=CC=CC=C3)C4=CC(=NC(=N4)N5C=CN=C5)Cl

Isomeric SMILES

COC1=CC=C(C=C1)CNC(=O)C2CN(CCN2C(=O)OC3=CC=CC=C3)C4=CC(=NC(=N4)N5C=CN=C5)Cl

InChI

InChI=1S/C27H26ClN7O4/c1-38-20-9-7-19(8-10-20)16-30-25(36)22-17-33(13-14-35(22)27(37)39-21-5-3-2-4-6-21)24-15-23(28)31-26(32-24)34-12-11-29-18-34/h2-12,15,18,22H,13-14,16-17H2,1H3,(H,30,36)