7-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-4-(thian-4-yl)-3,5-dihydro-2H-1,4-benzoxazepine

Systemtic Name: 7-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-4-(thian-4-yl)-3,5-dihydro-2H-1,4-benzoxazepine Openeye Name: 7-[[4-(2-pyridyl)piperazin-1-yl]methyl]-4-tetrahydrothiopyran-4-yl-3,5-dihydro-2H-1,4-benzoxazepine CAS Name: 7-[[4-(2-pyridinyl)-1-piperazinyl]methyl]-4-(4-thianyl)-3,5-dihydro-2H-1,4-benzoxazepine IUPAC Name: 7-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-4-(thian-4-yl)-3,5-dihydro-2H-1,4-benzoxazepine Traditional Name: 7-[[4-(2-pyridyl)piperazino]methyl]-4-tetrahydrothiopyran-4-yl-3,5-dihydro-2H-1,4-benzoxazepine Formula: C24H32N4OS MolecularWeight: 424.60208

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCCC1N2CCOC3=C(C2)C=C(C=C3)CN4CCN(CC4)C5=CC=CC=N5

Isomeric SMILES

C1CSCCC1N2CCOC3=C(C2)C=C(C=C3)CN4CCN(CC4)C5=CC=CC=N5

InChI

InChI=1S/C24H32N4OS/c1-2-8-25-24(3-1)27-11-9-26(10-12-27)18-20-4-5-23-21(17-20)19-28(13-14-29-23)22-6-15-30-16-7-22/h1-5,8,17,22H,6-7,9-16,18-19H2