butyl 2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-2-oxidanylidene-ethyl]-4-(2-imidazol-1-yl-6-propan-2-yl-pyrimidin-4-yl)piperazine-1-carboxylate

Systemtic Name: butyl 2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-2-oxidanylidene-ethyl]-4-(2-imidazol-1-yl-6-propan-2-yl-pyrimidin-4-yl)piperazine-1-carboxylate Openeye Name: butyl 2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-2-oxo-ethyl]-4-(2-imidazol-1-yl-6-isopropyl-pyrimidin-4-yl)piperazine-1-carboxylate CAS Name: 2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-2-oxoethyl]-4-[2-(1-imidazolyl)-6-propan-2-yl-4-pyrimidinyl]-1-piperazinecarboxylic acid butyl ester IUPAC Name: butyl 2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-2-oxoethyl]-4-(2-imidazol-1-yl-6-propan-2-ylpyrimidin-4-yl)piperazine-1-carboxylate Traditional Name: 2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-2-keto-ethyl]-4-(2-imidazol-1-yl-6-isopropyl-pyrimidin-4-yl)piperazine-1-carboxylic acid butyl ester Formula: C30H39N7O5 MolecularWeight: 577.67456

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)N1CCN(CC1CC(=O)NCC2=CC3=C(C=C2)OCCO3)C4=NC(=NC(=C4)C(C)C)N5C=CN=C5

Isomeric SMILES

CCCCOC(=O)N1CCN(CC1CC(=O)NCC2=CC3=C(C=C2)OCCO3)C4=NC(=NC(=C4)C(C)C)N5C=CN=C5

InChI

InChI=1S/C30H39N7O5/c1-4-5-12-42-30(39)37-11-10-35(27-17-24(21(2)3)33-29(34-27)36-9-8-31-20-36)19-23(37)16-28(38)32-18-22-6-7-25-26(15-22)41-14-13-40-25/h6-9,15,17,20-21,23H,4-5,10-14,16,18-19H2,1-3H3,(H,32,38)