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

Systemtic Name: (phenylmethyl) 2-[(3,4-dimethoxyphenyl)methylcarbamoyl]-4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)piperazine-1-carboxylate Openeye Name: benzyl 2-[(3,4-dimethoxyphenyl)methylcarbamoyl]-4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)piperazine-1-carboxylate CAS Name: 2-[[(3,4-dimethoxyphenyl)methylamino]-oxomethyl]-4-[2-(1-imidazolyl)-6-methyl-4-pyrimidinyl]-1-piperazinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[(3,4-dimethoxyphenyl)methylcarbamoyl]-4-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)piperazine-1-carboxylate Traditional Name: 4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-2-(veratrylcarbamoyl)piperazine-1-carboxylic acid benzyl ester Formula: C30H33N7O5 MolecularWeight: 571.62692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2C=CN=C2)N3CCN(C(C3)C(=O)NCC4=CC(=C(C=C4)OC)OC)C(=O)OCC5=CC=CC=C5

Isomeric SMILES

CC1=CC(=NC(=N1)N2C=CN=C2)N3CCN(C(C3)C(=O)NCC4=CC(=C(C=C4)OC)OC)C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C30H33N7O5/c1-21-15-27(34-29(33-21)36-12-11-31-20-36)35-13-14-37(30(39)42-19-22-7-5-4-6-8-22)24(18-35)28(38)32-17-23-9-10-25(40-2)26(16-23)41-3/h4-12,15-16,20,24H,13-14,17-19H2,1-3H3,(H,32,38)