1-methyl-10-[6-(4-methylpiperazin-1-yl)hex-4-ynyl]-5H-thieno[3,4-b][1,5]benzodiazepin-4-one

Systemtic Name: 1-methyl-10-[6-(4-methylpiperazin-1-yl)hex-4-ynyl]-5H-thieno[3,4-b][1,5]benzodiazepin-4-one Openeye Name: 1-methyl-10-[6-(4-methylpiperazin-1-yl)hex-4-ynyl]-5H-thieno[3,4-b][1,5]benzodiazepin-4-one CAS Name: 1-methyl-10-[6-(4-methyl-1-piperazinyl)hex-4-ynyl]-5H-thieno[3,4-b][1,5]benzodiazepin-4-one IUPAC Name: 1-methyl-10-[6-(4-methylpiperazin-1-yl)hex-4-ynyl]-5H-thieno[3,4-b][1,5]benzodiazepin-4-one Traditional Name: 1-methyl-10-[6-(4-methylpiperazino)hex-4-ynyl]-5H-thieno[3,4-b][1,5]benzodiazepin-4-one Formula: C23H28N4OS MolecularWeight: 408.55962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CS1)C(=O)NC3=CC=CC=C3N2CCCC#CCN4CCN(CC4)C

Isomeric SMILES

CC1=C2C(=CS1)C(=O)NC3=CC=CC=C3N2CCCC#CCN4CCN(CC4)C

InChI

InChI=1S/C23H28N4OS/c1-18-22-19(17-29-18)23(28)24-20-9-5-6-10-21(20)27(22)12-8-4-3-7-11-26-15-13-25(2)14-16-26/h5-6,9-10,17H,4,8,11-16H2,1-2H3,(H,24,28)