4-[7-(4-methoxyphenyl)-3,5-dihydro-2H-1,4-thiazepin-4-yl]-1-pyridin-3-yl-butan-1-one

Systemtic Name: 4-[7-(4-methoxyphenyl)-3,5-dihydro-2H-1,4-thiazepin-4-yl]-1-pyridin-3-yl-butan-1-one Openeye Name: 4-[7-(4-methoxyphenyl)-3,5-dihydro-2H-1,4-thiazepin-4-yl]-1-(3-pyridyl)butan-1-one CAS Name: 4-[7-(4-methoxyphenyl)-3,5-dihydro-2H-1,4-thiazepin-4-yl]-1-(3-pyridinyl)-1-butanone IUPAC Name: 4-[7-(4-methoxyphenyl)-3,5-dihydro-2H-1,4-thiazepin-4-yl]-1-pyridin-3-ylbutan-1-one Traditional Name: 4-[7-(4-methoxyphenyl)-3,5-dihydro-2H-1,4-thiazepin-4-yl]-1-(3-pyridyl)butan-1-one Formula: C21H24N2O2S MolecularWeight: 368.49246

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CCN(CCS2)CCCC(=O)C3=CN=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)C2=CCN(CCS2)CCCC(=O)C3=CN=CC=C3

InChI

InChI=1S/C21H24N2O2S/c1-25-19-8-6-17(7-9-19)21-10-13-23(14-15-26-21)12-3-5-20(24)18-4-2-11-22-16-18/h2,4,6-11,16H,3,5,12-15H2,1H3