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

Systemtic Name: 7-(3-chlorophenyl)-9-methoxy-4-(thiophen-3-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepine Openeye Name: 7-(3-chlorophenyl)-9-methoxy-4-(3-thienylmethyl)-3,5-dihydro-2H-1,4-benzoxazepine CAS Name: 7-(3-chlorophenyl)-9-methoxy-4-(3-thiophenylmethyl)-3,5-dihydro-2H-1,4-benzoxazepine IUPAC Name: 7-(3-chlorophenyl)-9-methoxy-4-(thiophen-3-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepine Traditional Name: 7-(3-chlorophenyl)-9-methoxy-4-(3-thenyl)-3,5-dihydro-2H-1,4-benzoxazepine Formula: C21H20ClNO2S MolecularWeight: 385.907

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCCN(C2)CC3=CSC=C3)C4=CC(=CC=C4)Cl

Isomeric SMILES

COC1=CC(=CC2=C1OCCN(C2)CC3=CSC=C3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C21H20ClNO2S/c1-24-20-11-17(16-3-2-4-19(22)10-16)9-18-13-23(6-7-25-21(18)20)12-15-5-8-26-14-15/h2-5,8-11,14H,6-7,12-13H2,1H3