N-[(1S,2R)-2-(cyanomethylcarbamoyl)cyclohexyl]-4-(4-methylpiperazin-1-yl)benzamide

Systemtic Name: N-[(1S,2R)-2-(cyanomethylcarbamoyl)cyclohexyl]-4-(4-methylpiperazin-1-yl)benzamide Openeye Name: N-[(1S,2R)-2-(cyanomethylcarbamoyl)cyclohexyl]-4-(4-methylpiperazin-1-yl)benzamide CAS Name: N-[(1S,2R)-2-[(cyanomethylamino)-oxomethyl]cyclohexyl]-4-(4-methyl-1-piperazinyl)benzamide IUPAC Name: N-[(1S,2R)-2-(cyanomethylcarbamoyl)cyclohexyl]-4-(4-methylpiperazin-1-yl)benzamide Traditional Name: N-[(1S,2R)-2-(cyanomethylcarbamoyl)cyclohexyl]-4-(4-methylpiperazino)benzamide Formula: C21H29N5O2 MolecularWeight: 383.48726

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC=C(C=C2)C(=O)NC3CCCCC3C(=O)NCC#N

Isomeric SMILES

CN1CCN(CC1)C2=CC=C(C=C2)C(=O)N[C@H]3CCCC[C@H]3C(=O)NCC#N

InChI

InChI=1S/C21H29N5O2/c1-25-12-14-26(15-13-25)17-8-6-16(7-9-17)20(27)24-19-5-3-2-4-18(19)21(28)23-11-10-22/h6-9,18-19H,2-5,11-15H2,1H3,(H,23,28)(H,24,27)/t18-,19+/m1/s1