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

Systemtic Name: 3-[2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-2-oxidanylidene-ethyl]-4-(2-imidazol-1-yl-6-methyl-4H-pyrimidin-3-yl)-N-phenyl-piperazine-1-carboxamide Openeye Name: 3-[2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-2-oxo-ethyl]-4-(2-imidazol-1-yl-6-methyl-4H-pyrimidin-3-yl)-N-phenyl-piperazine-1-carboxamide CAS Name: 3-[2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-2-oxoethyl]-4-[2-(1-imidazolyl)-6-methyl-4H-pyrimidin-3-yl]-N-phenyl-1-piperazinecarboxamide IUPAC Name: 3-[2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-2-oxoethyl]-4-(2-imidazol-1-yl-6-methyl-4H-pyrimidin-3-yl)-N-phenylpiperazine-1-carboxamide Traditional Name: 3-[2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-2-keto-ethyl]-4-(2-imidazol-1-yl-6-methyl-4H-pyrimidin-3-yl)-N-phenyl-piperazine-1-carboxamide Formula: C30H34N8O4 MolecularWeight: 570.64216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CCN(C(=N1)N2C=CN=C2)N3CCN(CC3CC(=O)NCC4=CC5=C(C=C4)OCCO5)C(=O)NC6=CC=CC=C6

Isomeric SMILES

CC1=CCN(C(=N1)N2C=CN=C2)N3CCN(CC3CC(=O)NCC4=CC5=C(C=C4)OCCO5)C(=O)NC6=CC=CC=C6

InChI

InChI=1S/C30H34N8O4/c1-22-9-11-38(29(33-22)36-12-10-31-21-36)37-14-13-35(30(40)34-24-5-3-2-4-6-24)20-25(37)18-28(39)32-19-23-7-8-26-27(17-23)42-16-15-41-26/h2-10,12,17,21,25H,11,13-16,18-20H2,1H3,(H,32,39)(H,34,40)