1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Openeye Name: 1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone CAS Name: 1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethanone IUPAC Name: 1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Traditional Name: 1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-[4-(2-pyrimidyl)piperazino]ethanone Formula: C24H25N5O MolecularWeight: 399.4882

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2N(C3=CC=CC=C31)C(=O)CN4CCN(CC4)C5=NC=CC=N5

Isomeric SMILES

C1CC2=CC=CC=C2N(C3=CC=CC=C31)C(=O)CN4CCN(CC4)C5=NC=CC=N5

InChI

InChI=1S/C24H25N5O/c30-23(18-27-14-16-28(17-15-27)24-25-12-5-13-26-24)29-21-8-3-1-6-19(21)10-11-20-7-2-4-9-22(20)29/h1-9,12-13H,10-11,14-18H2