2-phenylsulfanyl-1-[7-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethanone

Systemtic Name: 2-phenylsulfanyl-1-[7-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethanone Openeye Name: 2-phenylsulfanyl-1-[7-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethanone CAS Name: 2-(phenylthio)-1-[7-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethanone IUPAC Name: 2-phenylsulfanyl-1-[7-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethanone Traditional Name: 2-(phenylthio)-1-[7-[[4-(2-pyrimidyl)piperazino]methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethanone Formula: C26H29N5O2S MolecularWeight: 475.60576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCCN(C3)C(=O)CSC4=CC=CC=C4)C5=NC=CC=N5

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCCN(C3)C(=O)CSC4=CC=CC=C4)C5=NC=CC=N5

InChI

InChI=1S/C26H29N5O2S/c32-25(20-34-23-5-2-1-3-6-23)31-15-16-33-24-8-7-21(17-22(24)19-31)18-29-11-13-30(14-12-29)26-27-9-4-10-28-26/h1-10,17H,11-16,18-20H2