3-[2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-2-oxidanylidene-ethyl]-4-(6-imidazol-1-ylpyrimidin-4-yl)-N-phenyl-piperazine-1-carboxamide

Systemtic Name: 3-[2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-2-oxidanylidene-ethyl]-4-(6-imidazol-1-ylpyrimidin-4-yl)-N-phenyl-piperazine-1-carboxamide Openeye Name: 3-[2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-2-oxo-ethyl]-4-(6-imidazol-1-ylpyrimidin-4-yl)-N-phenyl-piperazine-1-carboxamide CAS Name: 3-[2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-2-oxoethyl]-4-[6-(1-imidazolyl)-4-pyrimidinyl]-N-phenyl-1-piperazinecarboxamide IUPAC Name: 3-[2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-2-oxoethyl]-4-(6-imidazol-1-ylpyrimidin-4-yl)-N-phenylpiperazine-1-carboxamide Traditional Name: 3-[2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-2-keto-ethyl]-4-(6-imidazol-1-ylpyrimidin-4-yl)-N-phenyl-piperazine-1-carboxamide Formula: C29H30N8O4 MolecularWeight: 554.5997

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1C(=O)NC2=CC=CC=C2)CC(=O)NCC3=CC4=C(C=C3)OCCO4)C5=NC=NC(=C5)N6C=CN=C6

Isomeric SMILES

C1CN(C(CN1C(=O)NC2=CC=CC=C2)CC(=O)NCC3=CC4=C(C=C3)OCCO4)C5=NC=NC(=C5)N6C=CN=C6

InChI

InChI=1S/C29H30N8O4/c38-28(31-17-21-6-7-24-25(14-21)41-13-12-40-24)15-23-18-35(29(39)34-22-4-2-1-3-5-22)10-11-37(23)27-16-26(32-19-33-27)36-9-8-30-20-36/h1-9,14,16,19-20,23H,10-13,15,17-18H2,(H,31,38)(H,34,39)