7-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-(thian-4-yl)-3,5-dihydro-2H-1,4-benzoxazepine

Systemtic Name: 7-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-(thian-4-yl)-3,5-dihydro-2H-1,4-benzoxazepine Openeye Name: 7-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-tetrahydrothiopyran-4-yl-3,5-dihydro-2H-1,4-benzoxazepine CAS Name: 7-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-(4-thianyl)-3,5-dihydro-2H-1,4-benzoxazepine IUPAC Name: 7-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-(thian-4-yl)-3,5-dihydro-2H-1,4-benzoxazepine Traditional Name: 7-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-tetrahydrothiopyran-4-yl-3,5-dihydro-2H-1,4-benzoxazepine Formula: C24H30N2OS MolecularWeight: 394.5728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CSCCC1N2CCOC3=C(C2)C=C(C=C3)CN4CCC5=CC=CC=C5C4

Isomeric SMILES

C1CSCCC1N2CCOC3=C(C2)C=C(C=C3)CN4CCC5=CC=CC=C5C4

InChI

InChI=1S/C24H30N2OS/c1-2-4-21-17-25(10-7-20(21)3-1)16-19-5-6-24-22(15-19)18-26(11-12-27-24)23-8-13-28-14-9-23/h1-6,15,23H,7-14,16-18H2