4-[[2-(7-methoxy-1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-3,5-dihydro-2H-1,4-benzoxazepine

Systemtic Name: 4-[[2-(7-methoxy-1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-3,5-dihydro-2H-1,4-benzoxazepine Openeye Name: 4-[[2-(7-methoxy-1,3-benzodioxol-5-yl)-5-methyl-oxazol-4-yl]methyl]-3,5-dihydro-2H-1,4-benzoxazepine CAS Name: 4-[[2-(7-methoxy-1,3-benzodioxol-5-yl)-5-methyl-4-oxazolyl]methyl]-3,5-dihydro-2H-1,4-benzoxazepine IUPAC Name: 4-[[2-(7-methoxy-1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-3,5-dihydro-2H-1,4-benzoxazepine Traditional Name: 4-[[2-(7-methoxy-1,3-benzodioxol-5-yl)-5-methyl-oxazol-4-yl]methyl]-3,5-dihydro-2H-1,4-benzoxazepine Formula: C22H22N2O5 MolecularWeight: 394.42048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CC3=C(C(=C2)OC)OCO3)CN4CCOC5=CC=CC=C5C4

Isomeric SMILES

CC1=C(N=C(O1)C2=CC3=C(C(=C2)OC)OCO3)CN4CCOC5=CC=CC=C5C4

InChI

InChI=1S/C22H22N2O5/c1-14-17(12-24-7-8-26-18-6-4-3-5-15(18)11-24)23-22(29-14)16-9-19(25-2)21-20(10-16)27-13-28-21/h3-6,9-10H,7-8,11-13H2,1-2H3