4-(furan-3-ylmethyl)-7-(2-methylphenyl)-9-(oxolan-3-ylmethoxy)-3,5-dihydro-2H-1,4-benzoxazepine

Systemtic Name: 4-(furan-3-ylmethyl)-7-(2-methylphenyl)-9-(oxolan-3-ylmethoxy)-3,5-dihydro-2H-1,4-benzoxazepine Openeye Name: 4-(3-furylmethyl)-7-(o-tolyl)-9-(tetrahydrofuran-3-ylmethoxy)-3,5-dihydro-2H-1,4-benzoxazepine CAS Name: 4-(3-furanylmethyl)-7-(2-methylphenyl)-9-(3-oxolanylmethoxy)-3,5-dihydro-2H-1,4-benzoxazepine IUPAC Name: 4-(furan-3-ylmethyl)-7-(2-methylphenyl)-9-(oxolan-3-ylmethoxy)-3,5-dihydro-2H-1,4-benzoxazepine Traditional Name: 4-(3-furfuryl)-7-(o-tolyl)-9-(tetrahydrofuran-3-ylmethoxy)-3,5-dihydro-2H-1,4-benzoxazepine Formula: C26H29NO4 MolecularWeight: 419.51276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=CC3=C(C(=C2)OCC4CCOC4)OCCN(C3)CC5=COC=C5

Isomeric SMILES

CC1=CC=CC=C1C2=CC3=C(C(=C2)OCC4CCOC4)OCCN(C3)CC5=COC=C5

InChI

InChI=1S/C26H29NO4/c1-19-4-2-3-5-24(19)22-12-23-15-27(14-20-6-9-28-16-20)8-11-30-26(23)25(13-22)31-18-21-7-10-29-17-21/h2-6,9,12-13,16,21H,7-8,10-11,14-15,17-18H2,1H3