3-[2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-2-oxidanylidene-ethyl]-4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-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-pyrimidin-4-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-pyrimidin-4-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-4-pyrimidinyl]-N-phenyl-1-piperazinecarboxamide IUPAC Name: 3-[2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-2-oxoethyl]-4-(2-imidazol-1-yl-6-methylpyrimidin-4-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-pyrimidin-4-yl)-N-phenyl-piperazine-1-carboxamide Formula: C30H32N8O4 MolecularWeight: 568.62628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H32N8O4/c1-21-15-27(35-29(33-21)37-10-9-31-20-37)38-12-11-36(30(40)34-23-5-3-2-4-6-23)19-24(38)17-28(39)32-18-22-7-8-25-26(16-22)42-14-13-41-25/h2-10,15-16,20,24H,11-14,17-19H2,1H3,(H,32,39)(H,34,40)