(E)-2-[3-methyl-3-(phenylmethyl)-1,2-diaziridin-1-yl]hept-2-en-5-yn-4-one

Systemtic Name: (E)-2-[3-methyl-3-(phenylmethyl)-1,2-diaziridin-1-yl]hept-2-en-5-yn-4-one Openeye Name: (E)-2-(3-benzyl-3-methyl-diaziridin-1-yl)hept-2-en-5-yn-4-one CAS Name: (E)-2-[3-methyl-3-(phenylmethyl)-1-diaziridinyl]-4-hept-2-en-5-ynone IUPAC Name: (E)-2-(3-benzyl-3-methyldiaziridin-1-yl)hept-2-en-5-yn-4-one Traditional Name: (E)-2-(3-benzyl-3-methyl-diaziridin-1-yl)hept-2-en-5-yn-4-one Formula: C16H18N2O MolecularWeight: 254.32692

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC(=O)C=C(C)N1C(N1)(C)CC2=CC=CC=C2

Isomeric SMILES

CC#CC(=O)/C=C(\C)/N1C(N1)(C)CC2=CC=CC=C2

InChI

InChI=1S/C16H18N2O/c1-4-8-15(19)11-13(2)18-16(3,17-18)12-14-9-6-5-7-10-14/h5-7,9-11,17H,12H2,1-3H3/b13-11+