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

Systemtic Name: 7-(2-methylphenyl)-4-[(3-methylthiophen-2-yl)methyl]-9-(oxolan-3-yloxy)-3,5-dihydro-2H-1,4-benzoxazepine Openeye Name: 4-[(3-methyl-2-thienyl)methyl]-7-(o-tolyl)-9-tetrahydrofuran-3-yloxy-3,5-dihydro-2H-1,4-benzoxazepine CAS Name: 7-(2-methylphenyl)-4-[(3-methyl-2-thiophenyl)methyl]-9-(3-oxolanyloxy)-3,5-dihydro-2H-1,4-benzoxazepine IUPAC Name: 7-(2-methylphenyl)-4-[(3-methylthiophen-2-yl)methyl]-9-(oxolan-3-yloxy)-3,5-dihydro-2H-1,4-benzoxazepine Traditional Name: 4-[(3-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=C(SC=C1)CN2CCOC3=C(C2)C=C(C=C3OC4CCOC4)C5=CC=CC=C5C

Isomeric SMILES

CC1=C(SC=C1)CN2CCOC3=C(C2)C=C(C=C3OC4CCOC4)C5=CC=CC=C5C

InChI

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