(phenylmethyl) 4-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)-2-[2-(4-methylphenoxy)ethylcarbamoyl]piperazine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)-2-[2-(4-methylphenoxy)ethylcarbamoyl]piperazine-1-carboxylate Openeye Name: benzyl 4-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-2-[2-(4-methylphenoxy)ethylcarbamoyl]piperazine-1-carboxylate CAS Name: 4-[6-chloro-2-(1-imidazolyl)-4-pyrimidinyl]-2-[[2-(4-methylphenoxy)ethylamino]-oxomethyl]-1-piperazinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)-2-[2-(4-methylphenoxy)ethylcarbamoyl]piperazine-1-carboxylate Traditional Name: 4-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-2-[2-(4-methylphenoxy)ethylcarbamoyl]piperazine-1-carboxylic acid benzyl ester Formula: C29H30ClN7O4 MolecularWeight: 576.046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCCNC(=O)C2CN(CCN2C(=O)OCC3=CC=CC=C3)C4=CC(=NC(=N4)N5C=CN=C5)Cl

Isomeric SMILES

CC1=CC=C(C=C1)OCCNC(=O)C2CN(CCN2C(=O)OCC3=CC=CC=C3)C4=CC(=NC(=N4)N5C=CN=C5)Cl

InChI

InChI=1S/C29H30ClN7O4/c1-21-7-9-23(10-8-21)40-16-12-32-27(38)24-18-35(26-17-25(30)33-28(34-26)36-13-11-31-20-36)14-15-37(24)29(39)41-19-22-5-3-2-4-6-22/h2-11,13,17,20,24H,12,14-16,18-19H2,1H3,(H,32,38)