3-[[3-methoxy-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]methylamino]azepan-2-one

Systemtic Name: 3-[[3-methoxy-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]methylamino]azepan-2-one Openeye Name: 3-[[3-methoxy-4-[2-(4-methylthiazol-5-yl)ethoxy]phenyl]methylamino]azepan-2-one CAS Name: 3-[[3-methoxy-4-[2-(4-methyl-5-thiazolyl)ethoxy]phenyl]methylamino]-2-azepanone IUPAC Name: 3-[[3-methoxy-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]methylamino]azepan-2-one Traditional Name: 3-[[3-methoxy-4-[2-(4-methylthiazol-5-yl)ethoxy]benzyl]amino]azepan-2-one Formula: C20H27N3O3S MolecularWeight: 389.51168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=N1)CCOC2=C(C=C(C=C2)CNC3CCCCNC3=O)OC

Isomeric SMILES

CC1=C(SC=N1)CCOC2=C(C=C(C=C2)CNC3CCCCNC3=O)OC

InChI

InChI=1S/C20H27N3O3S/c1-14-19(27-13-23-14)8-10-26-17-7-6-15(11-18(17)25-2)12-22-16-5-3-4-9-21-20(16)24/h6-7,11,13,16,22H,3-5,8-10,12H2,1-2H3,(H,21,24)