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

Systemtic Name: 11-[2-methyl-6-(4-methylpiperazin-1-yl)hex-4-ynoyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one Openeye Name: 11-[2-methyl-6-(4-methylpiperazin-1-yl)hex-4-ynoyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one CAS Name: 11-[2-methyl-6-(4-methyl-1-piperazinyl)-1-oxohex-4-ynyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one IUPAC Name: 11-[2-methyl-6-(4-methylpiperazin-1-yl)hex-4-ynoyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one Traditional Name: 11-[2-methyl-6-(4-methylpiperazino)hex-4-ynoyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one Formula: C24H27N5O2 MolecularWeight: 417.50348

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC#CCN1CCN(CC1)C)C(=O)N2C3=CC=CC=C3C(=O)NC4=C2N=CC=C4

Isomeric SMILES

CC(CC#CCN1CCN(CC1)C)C(=O)N2C3=CC=CC=C3C(=O)NC4=C2N=CC=C4

InChI

InChI=1S/C24H27N5O2/c1-18(8-5-6-13-28-16-14-27(2)15-17-28)24(31)29-21-11-4-3-9-19(21)23(30)26-20-10-7-12-25-22(20)29/h3-4,7,9-12,18H,8,13-17H2,1-2H3,(H,26,30)