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

Systemtic Name: 7-(2-methylphenyl)-9-(oxolan-3-yloxy)-4-(thiophen-3-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepine Openeye Name: 7-(o-tolyl)-9-tetrahydrofuran-3-yloxy-4-(3-thienylmethyl)-3,5-dihydro-2H-1,4-benzoxazepine CAS Name: 7-(2-methylphenyl)-9-(3-oxolanyloxy)-4-(3-thiophenylmethyl)-3,5-dihydro-2H-1,4-benzoxazepine IUPAC Name: 7-(2-methylphenyl)-9-(oxolan-3-yloxy)-4-(thiophen-3-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepine Traditional Name: 7-(o-tolyl)-9-tetrahydrofuran-3-yloxy-4-(3-thenyl)-3,5-dihydro-2H-1,4-benzoxazepine Formula: C25H27NO3S MolecularWeight: 421.55178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=CC3=C(C(=C2)OC4CCOC4)OCCN(C3)CC5=CSC=C5

Isomeric SMILES

CC1=CC=CC=C1C2=CC3=C(C(=C2)OC4CCOC4)OCCN(C3)CC5=CSC=C5

InChI

InChI=1S/C25H27NO3S/c1-18-4-2-3-5-23(18)20-12-21-15-26(14-19-7-11-30-17-19)8-10-28-25(21)24(13-20)29-22-6-9-27-16-22/h2-5,7,11-13,17,22H,6,8-10,14-16H2,1H3