5-methyl-11-[2-(4-methylpiperazin-1-yl)propanoyl]pyrido[2,3-b][1,4]benzodiazepin-6-one

Systemtic Name: 5-methyl-11-[2-(4-methylpiperazin-1-yl)propanoyl]pyrido[2,3-b][1,4]benzodiazepin-6-one Openeye Name: 5-methyl-11-[2-(4-methylpiperazin-1-yl)propanoyl]pyrido[2,3-b][1,4]benzodiazepin-6-one CAS Name: 5-methyl-11-[2-(4-methyl-1-piperazinyl)-1-oxopropyl]-6-pyrido[2,3-b][1,4]benzodiazepinone IUPAC Name: 5-methyl-11-[2-(4-methylpiperazin-1-yl)propanoyl]pyrido[2,3-b][1,4]benzodiazepin-6-one Traditional Name: 5-methyl-11-[2-(4-methylpiperazino)propanoyl]pyrido[2,3-b][1,4]benzodiazepin-6-one Formula: C21H25N5O2 MolecularWeight: 379.4555

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1C2=CC=CC=C2C(=O)N(C3=C1N=CC=C3)C)N4CCN(CC4)C

Isomeric SMILES

CC(C(=O)N1C2=CC=CC=C2C(=O)N(C3=C1N=CC=C3)C)N4CCN(CC4)C

InChI

InChI=1S/C21H25N5O2/c1-15(25-13-11-23(2)12-14-25)20(27)26-17-8-5-4-7-16(17)21(28)24(3)18-9-6-10-22-19(18)26/h4-10,15H,11-14H2,1-3H3