7-(2-methylphenyl)-4-[(5-methylthiophen-2-yl)methyl]-9-(oxolan-3-yloxy)-3,5-dihydro-2H-1,4-benzoxazepine

Systemtic Name: 7-(2-methylphenyl)-4-[(5-methylthiophen-2-yl)methyl]-9-(oxolan-3-yloxy)-3,5-dihydro-2H-1,4-benzoxazepine Openeye Name: 4-[(5-methyl-2-thienyl)methyl]-7-(o-tolyl)-9-tetrahydrofuran-3-yloxy-3,5-dihydro-2H-1,4-benzoxazepine CAS Name: 7-(2-methylphenyl)-4-[(5-methyl-2-thiophenyl)methyl]-9-(3-oxolanyloxy)-3,5-dihydro-2H-1,4-benzoxazepine IUPAC Name: 7-(2-methylphenyl)-4-[(5-methylthiophen-2-yl)methyl]-9-(oxolan-3-yloxy)-3,5-dihydro-2H-1,4-benzoxazepine Traditional Name: 4-[(5-methyl-2-thienyl)methyl]-7-(o-tolyl)-9-tetrahydrofuran-3-yloxy-3,5-dihydro-2H-1,4-benzoxazepine Formula: C26H29NO3S MolecularWeight: 435.57836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=CC3=C(C(=C2)OC4CCOC4)OCCN(C3)CC5=CC=C(S5)C

Isomeric SMILES

CC1=CC=CC=C1C2=CC3=C(C(=C2)OC4CCOC4)OCCN(C3)CC5=CC=C(S5)C

InChI

InChI=1S/C26H29NO3S/c1-18-5-3-4-6-24(18)20-13-21-15-27(16-23-8-7-19(2)31-23)10-12-29-26(21)25(14-20)30-22-9-11-28-17-22/h3-8,13-14,22H,9-12,15-17H2,1-2H3