3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl-N-[1-(dimethylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]oxirane-2-carboxamide

Systemtic Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl-N-[1-(dimethylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]oxirane-2-carboxamide Openeye Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-N-[1-benzyl-2-(dimethylamino)-2-oxo-ethyl]oxirane-2-carboxamide CAS Name: 3-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-oxomethyl]-N-[1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-2-oxiranecarboxamide IUPAC Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-N-[1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]oxirane-2-carboxamide Traditional Name: N-[1-benzyl-2-(dimethylamino)-2-keto-ethyl]-3-(4-piperonylpiperazine-1-carbonyl)oxirane-2-carboxamide Formula: C27H32N4O6 MolecularWeight: 508.56618

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C(CC1=CC=CC=C1)NC(=O)C2C(O2)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CN(C)C(=O)C(CC1=CC=CC=C1)NC(=O)C2C(O2)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C27H32N4O6/c1-29(2)26(33)20(14-18-6-4-3-5-7-18)28-25(32)23-24(37-23)27(34)31-12-10-30(11-13-31)16-19-8-9-21-22(15-19)36-17-35-21/h3-9,15,20,23-24H,10-14,16-17H2,1-2H3,(H,28,32)