N-(1-adamantylmethyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)piperazine-2-carboxamide

Systemtic Name: N-(1-adamantylmethyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)piperazine-2-carboxamide Openeye Name: N-(1-adamantylmethyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)piperazine-2-carboxamide CAS Name: N-(1-adamantylmethyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-[2-(1-imidazolyl)-6-methyl-4-pyrimidinyl]-2-piperazinecarboxamide IUPAC Name: N-(1-adamantylmethyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)piperazine-2-carboxamide Traditional Name: N-(1-adamantylmethyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)piperazine-2-carboxamide Formula: C33H41N7O3 MolecularWeight: 583.72374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2C=CN=C2)N3CCN(CC3C(=O)NCC45CC6CC(C4)CC(C6)C5)CC7=CC8=C(C=C7)OCCO8

Isomeric SMILES

CC1=CC(=NC(=N1)N2C=CN=C2)N3CCN(CC3C(=O)NCC45CC6CC(C4)CC(C6)C5)CC7=CC8=C(C=C7)OCCO8

InChI

InChI=1S/C33H41N7O3/c1-22-10-30(37-32(36-22)39-5-4-34-21-39)40-7-6-38(18-23-2-3-28-29(14-23)43-9-8-42-28)19-27(40)31(41)35-20-33-15-24-11-25(16-33)13-26(12-24)17-33/h2-5,10,14,21,24-27H,6-9,11-13,15-20H2,1H3,(H,35,41)