N-[1-(cyanomethylamino)-3-methyl-1-oxidanylidene-pentan-2-yl]-4-(4-methylpiperazin-1-yl)benzamide

Systemtic Name: N-[1-(cyanomethylamino)-3-methyl-1-oxidanylidene-pentan-2-yl]-4-(4-methylpiperazin-1-yl)benzamide Openeye Name: N-[1-(cyanomethylcarbamoyl)-2-methyl-butyl]-4-(4-methylpiperazin-1-yl)benzamide CAS Name: N-[1-(cyanomethylamino)-3-methyl-1-oxopentan-2-yl]-4-(4-methyl-1-piperazinyl)benzamide IUPAC Name: N-[1-(cyanomethylamino)-3-methyl-1-oxopentan-2-yl]-4-(4-methylpiperazin-1-yl)benzamide Traditional Name: N-[1-(cyanomethylcarbamoyl)-2-methyl-butyl]-4-(4-methylpiperazino)benzamide Formula: C20H29N5O2 MolecularWeight: 371.47656

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NCC#N)NC(=O)C1=CC=C(C=C1)N2CCN(CC2)C

Isomeric SMILES

CCC(C)C(C(=O)NCC#N)NC(=O)C1=CC=C(C=C1)N2CCN(CC2)C

InChI

InChI=1S/C20H29N5O2/c1-4-15(2)18(20(27)22-10-9-21)23-19(26)16-5-7-17(8-6-16)25-13-11-24(3)12-14-25/h5-8,15,18H,4,10-14H2,1-3H3,(H,22,27)(H,23,26)