N-[5-[(1-cyanocyclopropyl)amino]-3-methyl-5-oxidanylidene-pentyl]-4-(4-methylpiperazin-1-yl)benzamide

Systemtic Name: N-[5-[(1-cyanocyclopropyl)amino]-3-methyl-5-oxidanylidene-pentyl]-4-(4-methylpiperazin-1-yl)benzamide Openeye Name: N-[5-[(1-cyanocyclopropyl)amino]-3-methyl-5-oxo-pentyl]-4-(4-methylpiperazin-1-yl)benzamide CAS Name: N-[5-[(1-cyanocyclopropyl)amino]-3-methyl-5-oxopentyl]-4-(4-methyl-1-piperazinyl)benzamide IUPAC Name: N-[5-[(1-cyanocyclopropyl)amino]-3-methyl-5-oxopentyl]-4-(4-methylpiperazin-1-yl)benzamide Traditional Name: N-[5-[(1-cyanocyclopropyl)amino]-5-keto-3-methyl-pentyl]-4-(4-methylpiperazino)benzamide Formula: C22H31N5O2 MolecularWeight: 397.51384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCNC(=O)C1=CC=C(C=C1)N2CCN(CC2)C)CC(=O)NC3(CC3)C#N

Isomeric SMILES

CC(CCNC(=O)C1=CC=C(C=C1)N2CCN(CC2)C)CC(=O)NC3(CC3)C#N

InChI

InChI=1S/C22H31N5O2/c1-17(15-20(28)25-22(16-23)8-9-22)7-10-24-21(29)18-3-5-19(6-4-18)27-13-11-26(2)12-14-27/h3-6,17H,7-15H2,1-2H3,(H,24,29)(H,25,28)