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

Systemtic Name: 7-(2-methylphenyl)-9-(oxolan-3-ylmethoxy)-4-(thiophen-3-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepine Openeye Name: 7-(o-tolyl)-9-(tetrahydrofuran-3-ylmethoxy)-4-(3-thienylmethyl)-3,5-dihydro-2H-1,4-benzoxazepine CAS Name: 7-(2-methylphenyl)-9-(3-oxolanylmethoxy)-4-(3-thiophenylmethyl)-3,5-dihydro-2H-1,4-benzoxazepine IUPAC Name: 7-(2-methylphenyl)-9-(oxolan-3-ylmethoxy)-4-(thiophen-3-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepine Traditional Name: 7-(o-tolyl)-9-(tetrahydrofuran-3-ylmethoxy)-4-(3-thenyl)-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)OCC4CCOC4)OCCN(C3)CC5=CSC=C5

Isomeric SMILES

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

InChI

InChI=1S/C26H29NO3S/c1-19-4-2-3-5-24(19)22-12-23-15-27(14-20-7-11-31-18-20)8-10-29-26(23)25(13-22)30-17-21-6-9-28-16-21/h2-5,7,11-13,18,21H,6,8-10,14-17H2,1H3