(4-methoxyphenyl) 4-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)-3-[(2,6-dimethoxyphenyl)methylcarbamoyl]piperazine-1-carboxylate

Systemtic Name: (4-methoxyphenyl) 4-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)-3-[(2,6-dimethoxyphenyl)methylcarbamoyl]piperazine-1-carboxylate Openeye Name: (4-methoxyphenyl) 4-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-3-[(2,6-dimethoxyphenyl)methylcarbamoyl]piperazine-1-carboxylate CAS Name: 4-[6-chloro-2-(1-imidazolyl)-4-pyrimidinyl]-3-[[(2,6-dimethoxyphenyl)methylamino]-oxomethyl]-1-piperazinecarboxylic acid (4-methoxyphenyl) ester IUPAC Name: (4-methoxyphenyl) 4-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)-3-[(2,6-dimethoxyphenyl)methylcarbamoyl]piperazine-1-carboxylate Traditional Name: 4-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-3-[(2,6-dimethoxybenzyl)carbamoyl]piperazine-1-carboxylic acid (4-methoxyphenyl) ester Formula: C29H30ClN7O6 MolecularWeight: 608.0448

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OC(=O)N2CCN(C(C2)C(=O)NCC3=C(C=CC=C3OC)OC)C4=CC(=NC(=N4)N5C=CN=C5)Cl

Isomeric SMILES

COC1=CC=C(C=C1)OC(=O)N2CCN(C(C2)C(=O)NCC3=C(C=CC=C3OC)OC)C4=CC(=NC(=N4)N5C=CN=C5)Cl

InChI

InChI=1S/C29H30ClN7O6/c1-40-19-7-9-20(10-8-19)43-29(39)35-13-14-37(26-15-25(30)33-28(34-26)36-12-11-31-18-36)22(17-35)27(38)32-16-21-23(41-2)5-4-6-24(21)42-3/h4-12,15,18,22H,13-14,16-17H2,1-3H3,(H,32,38)