4-(dimethylaminomethyl)-5-pyridin-3-yl-3,4-dihydro-2H-1-benzothiepin-5-ol

Systemtic Name: 4-(dimethylaminomethyl)-5-pyridin-3-yl-3,4-dihydro-2H-1-benzothiepin-5-ol Openeye Name: 4-(dimethylaminomethyl)-5-(3-pyridyl)-3,4-dihydro-2H-1-benzothiepin-5-ol CAS Name: 4-(dimethylaminomethyl)-5-(3-pyridinyl)-3,4-dihydro-2H-1-benzothiepin-5-ol IUPAC Name: 4-(dimethylaminomethyl)-5-pyridin-3-yl-3,4-dihydro-2H-1-benzothiepin-5-ol Traditional Name: 4-(dimethylaminomethyl)-5-(3-pyridyl)-3,4-dihydro-2H-1-benzothiepin-5-ol Formula: C18H22N2OS MolecularWeight: 314.44508

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1CCSC2=CC=CC=C2C1(C3=CN=CC=C3)O

Isomeric SMILES

CN(C)CC1CCSC2=CC=CC=C2C1(C3=CN=CC=C3)O

InChI

InChI=1S/C18H22N2OS/c1-20(2)13-15-9-11-22-17-8-4-3-7-16(17)18(15,21)14-6-5-10-19-12-14/h3-8,10,12,15,21H,9,11,13H2,1-2H3