N-cyclohexyl-3-[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-carboxamide

Systemtic Name: N-cyclohexyl-3-[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-carboxamide Openeye Name: N-cyclohexyl-3-[2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-2-oxo-ethyl]-4-(2-imidazol-1-yl-6-isopropyl-pyrimidin-4-yl)piperazine-1-carboxamide CAS Name: N-cyclohexyl-3-[2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-2-oxoethyl]-4-[2-(1-imidazolyl)-6-propan-2-yl-4-pyrimidinyl]-1-piperazinecarboxamide IUPAC Name: N-cyclohexyl-3-[2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-2-oxoethyl]-4-(2-imidazol-1-yl-6-propan-2-ylpyrimidin-4-yl)piperazine-1-carboxamide Traditional Name: N-cyclohexyl-3-[2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-2-keto-ethyl]-4-(2-imidazol-1-yl-6-isopropyl-pyrimidin-4-yl)piperazine-1-carboxamide Formula: C32H42N8O4 MolecularWeight: 602.72708

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=NC(=N1)N2C=CN=C2)N3CCN(CC3CC(=O)NCC4=CC5=C(C=C4)OCCO5)C(=O)NC6CCCCC6

Isomeric SMILES

CC(C)C1=CC(=NC(=N1)N2C=CN=C2)N3CCN(CC3CC(=O)NCC4=CC5=C(C=C4)OCCO5)C(=O)NC6CCCCC6

InChI

InChI=1S/C32H42N8O4/c1-22(2)26-18-29(37-31(36-26)39-11-10-33-21-39)40-13-12-38(32(42)35-24-6-4-3-5-7-24)20-25(40)17-30(41)34-19-23-8-9-27-28(16-23)44-15-14-43-27/h8-11,16,18,21-22,24-25H,3-7,12-15,17,19-20H2,1-2H3,(H,34,41)(H,35,42)