N2-(cyanomethyl)-3-cyclohexyl-4-ethanoyl-benzene-1,2-dicarboxamide

Systemtic Name: N2-(cyanomethyl)-3-cyclohexyl-4-ethanoyl-benzene-1,2-dicarboxamide Openeye Name: 4-acetyl-N2-(cyanomethyl)-3-cyclohexyl-phthalamide CAS Name: 4-acetyl-N2-(cyanomethyl)-3-cyclohexylbenzene-1,2-dicarboxamide IUPAC Name: 4-acetyl-2-N-(cyanomethyl)-3-cyclohexylbenzene-1,2-dicarboxamide Traditional Name: 4-acetyl-N'-(cyanomethyl)-3-cyclohexyl-phthalamide Formula: C18H21N3O3 MolecularWeight: 327.37764

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C(=C(C=C1)C(=O)N)C(=O)NCC#N)C2CCCCC2

Isomeric SMILES

CC(=O)C1=C(C(=C(C=C1)C(=O)N)C(=O)NCC#N)C2CCCCC2

InChI

InChI=1S/C18H21N3O3/c1-11(22)13-7-8-14(17(20)23)16(18(24)21-10-9-19)15(13)12-5-3-2-4-6-12/h7-8,12H,2-6,10H2,1H3,(H2,20,23)(H,21,24)