3-[2-(4-methylpiperazin-1-yl)-2-oxidanylidene-ethyl]-1,2,3,5-tetrahydro-1,5-benzodiazepin-4-one

Systemtic Name: 3-[2-(4-methylpiperazin-1-yl)-2-oxidanylidene-ethyl]-1,2,3,5-tetrahydro-1,5-benzodiazepin-4-one Openeye Name: 3-[2-(4-methylpiperazin-1-yl)-2-oxo-ethyl]-1,2,3,5-tetrahydro-1,5-benzodiazepin-4-one CAS Name: 3-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-1,2,3,5-tetrahydro-1,5-benzodiazepin-4-one IUPAC Name: 3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1,2,3,5-tetrahydro-1,5-benzodiazepin-4-one Traditional Name: 3-[2-keto-2-(4-methylpiperazino)ethyl]-1,2,3,5-tetrahydro-1,5-benzodiazepin-4-one Formula: C16H22N4O2 MolecularWeight: 302.37148

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)CC2CNC3=CC=CC=C3NC2=O

Isomeric SMILES

CN1CCN(CC1)C(=O)CC2CNC3=CC=CC=C3NC2=O

InChI

InChI=1S/C16H22N4O2/c1-19-6-8-20(9-7-19)15(21)10-12-11-17-13-4-2-3-5-14(13)18-16(12)22/h2-5,12,17H,6-11H2,1H3,(H,18,22)