phenyl 2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylcarbamoyl)-4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)piperazine-1-carboxylate

Systemtic Name: phenyl 2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylcarbamoyl)-4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)piperazine-1-carboxylate Openeye Name: phenyl 2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylcarbamoyl)-4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)piperazine-1-carboxylate CAS Name: 2-[(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-oxomethyl]-4-[2-(1-imidazolyl)-6-methyl-4-pyrimidinyl]-1-piperazinecarboxylic acid phenyl ester IUPAC Name: phenyl 2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylcarbamoyl)-4-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)piperazine-1-carboxylate Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylcarbamoyl)-4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)piperazine-1-carboxylic acid phenyl ester Formula: C29H29N7O5 MolecularWeight: 555.58446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2C=CN=C2)N3CCN(C(C3)C(=O)NCC4=CC5=C(C=C4)OCCO5)C(=O)OC6=CC=CC=C6

Isomeric SMILES

CC1=CC(=NC(=N1)N2C=CN=C2)N3CCN(C(C3)C(=O)NCC4=CC5=C(C=C4)OCCO5)C(=O)OC6=CC=CC=C6

InChI

InChI=1S/C29H29N7O5/c1-20-15-26(33-28(32-20)35-10-9-30-19-35)34-11-12-36(29(38)41-22-5-3-2-4-6-22)23(18-34)27(37)31-17-21-7-8-24-25(16-21)40-14-13-39-24/h2-10,15-16,19,23H,11-14,17-18H2,1H3,(H,31,37)