3-chloranyl-11-[6-(4-methylpiperazin-1-yl)hexanoyl]-5H-benzo[b][1,4]benzodiazepin-6-one

Systemtic Name: 3-chloranyl-11-[6-(4-methylpiperazin-1-yl)hexanoyl]-5H-benzo[b][1,4]benzodiazepin-6-one Openeye Name: 3-chloro-11-[6-(4-methylpiperazin-1-yl)hexanoyl]-5H-benzo[b][1,4]benzodiazepin-6-one CAS Name: 3-chloro-11-[6-(4-methyl-1-piperazinyl)-1-oxohexyl]-5H-benzo[b][1,4]benzodiazepin-6-one IUPAC Name: 3-chloro-11-[6-(4-methylpiperazin-1-yl)hexanoyl]-5H-benzo[b][1,4]benzodiazepin-6-one Traditional Name: 3-chloro-11-[6-(4-methylpiperazino)hexanoyl]-5H-benzo[b][1,4]benzodiazepin-6-one Formula: C24H29ClN4O2 MolecularWeight: 440.96566

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCCCCC(=O)N2C3=C(C=C(C=C3)Cl)NC(=O)C4=CC=CC=C42

Isomeric SMILES

CN1CCN(CC1)CCCCCC(=O)N2C3=C(C=C(C=C3)Cl)NC(=O)C4=CC=CC=C42

InChI

InChI=1S/C24H29ClN4O2/c1-27-13-15-28(16-14-27)12-6-2-3-9-23(30)29-21-8-5-4-7-19(21)24(31)26-20-17-18(25)10-11-22(20)29/h4-5,7-8,10-11,17H,2-3,6,9,12-16H2,1H3,(H,26,31)