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

Systemtic Name: 11-[6-(4-methylpiperazin-1-yl)hex-4-ynoyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one Openeye Name: 11-[6-(4-methylpiperazin-1-yl)hex-4-ynoyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one CAS Name: 11-[6-(4-methyl-1-piperazinyl)-1-oxohex-4-ynyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one IUPAC Name: 11-[6-(4-methylpiperazin-1-yl)hex-4-ynoyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one Traditional Name: 11-[6-(4-methylpiperazino)hex-4-ynoyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one Formula: C23H25N5O2 MolecularWeight: 403.4769

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC#CCCC(=O)N2C3=CC=CC=C3C(=O)NC4=C2N=CC=C4

Isomeric SMILES

CN1CCN(CC1)CC#CCCC(=O)N2C3=CC=CC=C3C(=O)NC4=C2N=CC=C4

InChI

InChI=1S/C23H25N5O2/c1-26-14-16-27(17-15-26)13-6-2-3-11-21(29)28-20-10-5-4-8-18(20)23(30)25-19-9-7-12-24-22(19)28/h4-5,7-10,12H,3,11,13-17H2,1H3,(H,25,30)