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

Systemtic Name: 9-methoxy-7-(4-methylphenyl)-4-(thiophen-3-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepine Openeye Name: 9-methoxy-7-(p-tolyl)-4-(3-thienylmethyl)-3,5-dihydro-2H-1,4-benzoxazepine CAS Name: 9-methoxy-7-(4-methylphenyl)-4-(3-thiophenylmethyl)-3,5-dihydro-2H-1,4-benzoxazepine IUPAC Name: 9-methoxy-7-(4-methylphenyl)-4-(thiophen-3-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepine Traditional Name: 9-methoxy-7-(p-tolyl)-4-(3-thenyl)-3,5-dihydro-2H-1,4-benzoxazepine Formula: C22H23NO2S MolecularWeight: 365.48852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC3=C(C(=C2)OC)OCCN(C3)CC4=CSC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC3=C(C(=C2)OC)OCCN(C3)CC4=CSC=C4

InChI

InChI=1S/C22H23NO2S/c1-16-3-5-18(6-4-16)19-11-20-14-23(13-17-7-10-26-15-17)8-9-25-22(20)21(12-19)24-2/h3-7,10-12,15H,8-9,13-14H2,1-2H3