1-bromanyl-3-methyl-10-[5-(4-methylpiperazin-1-yl)pentanoyl]-5H-thieno[3,4-b][1,5]benzodiazepin-4-one

Systemtic Name: 1-bromanyl-3-methyl-10-[5-(4-methylpiperazin-1-yl)pentanoyl]-5H-thieno[3,4-b][1,5]benzodiazepin-4-one Openeye Name: 1-bromo-3-methyl-10-[5-(4-methylpiperazin-1-yl)pentanoyl]-5H-thieno[3,4-b][1,5]benzodiazepin-4-one CAS Name: 1-bromo-3-methyl-10-[5-(4-methyl-1-piperazinyl)-1-oxopentyl]-5H-thieno[3,4-b][1,5]benzodiazepin-4-one IUPAC Name: 1-bromo-3-methyl-10-[5-(4-methylpiperazin-1-yl)pentanoyl]-5H-thieno[3,4-b][1,5]benzodiazepin-4-one Traditional Name: 1-bromo-3-methyl-10-[5-(4-methylpiperazino)pentanoyl]-5H-thieno[3,4-b][1,5]benzodiazepin-4-one Formula: C22H27BrN4O2S MolecularWeight: 491.44438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(S1)Br)N(C3=CC=CC=C3NC2=O)C(=O)CCCCN4CCN(CC4)C

Isomeric SMILES

CC1=C2C(=C(S1)Br)N(C3=CC=CC=C3NC2=O)C(=O)CCCCN4CCN(CC4)C

InChI

InChI=1S/C22H27BrN4O2S/c1-15-19-20(21(23)30-15)27(17-8-4-3-7-16(17)24-22(19)29)18(28)9-5-6-10-26-13-11-25(2)12-14-26/h3-4,7-8H,5-6,9-14H2,1-2H3,(H,24,29)