N-[1-(cyanomethylcarbamoyl)cyclohexyl]-4-[4-(2-methoxyethyl)piperazin-1-yl]benzamide

Systemtic Name: N-[1-(cyanomethylcarbamoyl)cyclohexyl]-4-[4-(2-methoxyethyl)piperazin-1-yl]benzamide Openeye Name: N-[1-(cyanomethylcarbamoyl)cyclohexyl]-4-[4-(2-methoxyethyl)piperazin-1-yl]benzamide CAS Name: N-[1-[(cyanomethylamino)-oxomethyl]cyclohexyl]-4-[4-(2-methoxyethyl)-1-piperazinyl]benzamide IUPAC Name: N-[1-(cyanomethylcarbamoyl)cyclohexyl]-4-[4-(2-methoxyethyl)piperazin-1-yl]benzamide Traditional Name: N-[1-(cyanomethylcarbamoyl)cyclohexyl]-4-[4-(2-methoxyethyl)piperazino]benzamide Formula: C23H33N5O3 MolecularWeight: 427.53982

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1CCN(CC1)C2=CC=C(C=C2)C(=O)NC3(CCCCC3)C(=O)NCC#N

Isomeric SMILES

COCCN1CCN(CC1)C2=CC=C(C=C2)C(=O)NC3(CCCCC3)C(=O)NCC#N

InChI

InChI=1S/C23H33N5O3/c1-31-18-17-27-13-15-28(16-14-27)20-7-5-19(6-8-20)21(29)26-23(9-3-2-4-10-23)22(30)25-12-11-24/h5-8H,2-4,9-10,12-18H2,1H3,(H,25,30)(H,26,29)