(2S,3S)-3-methyl-3-(4-methylphenyl)-2-(C-piperidin-1-ylcarbonimidoyl)oxirane-2-carbonitrile

Systemtic Name: (2S,3S)-3-methyl-3-(4-methylphenyl)-2-(C-piperidin-1-ylcarbonimidoyl)oxirane-2-carbonitrile Openeye Name: (2S,3S)-3-methyl-2-(piperidine-1-carboximidoyl)-3-(p-tolyl)oxirane-2-carbonitrile CAS Name: (2S,3S)-2-[imino(1-piperidinyl)methyl]-3-methyl-3-(4-methylphenyl)-2-oxiranecarbonitrile IUPAC Name: (2S,3S)-3-methyl-3-(4-methylphenyl)-2-(piperidine-1-carboximidoyl)oxirane-2-carbonitrile Traditional Name: (2S,3S)-3-methyl-2-(piperidine-1-carboximidoyl)-3-(p-tolyl)oxirane-2-carbonitrile Formula: C17H21N3O MolecularWeight: 283.36814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2(C(O2)(C#N)C(=N)N3CCCCC3)C

Isomeric SMILES

CC1=CC=C(C=C1)[C@]2([C@](O2)(C#N)C(=N)N3CCCCC3)C

InChI

InChI=1S/C17H21N3O/c1-13-6-8-14(9-7-13)16(2)17(12-18,21-16)15(19)20-10-4-3-5-11-20/h6-9,19H,3-5,10-11H2,1-2H3/t16-,17-/m0/s1