7-(1-benzothiophen-3-yl)-9-methoxy-4-(pyridin-3-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepine

Systemtic Name: 7-(1-benzothiophen-3-yl)-9-methoxy-4-(pyridin-3-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepine Openeye Name: 7-(benzothiophen-3-yl)-9-methoxy-4-(3-pyridylmethyl)-3,5-dihydro-2H-1,4-benzoxazepine CAS Name: 7-(1-benzothiophen-3-yl)-9-methoxy-4-(3-pyridinylmethyl)-3,5-dihydro-2H-1,4-benzoxazepine IUPAC Name: 7-(1-benzothiophen-3-yl)-9-methoxy-4-(pyridin-3-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepine Traditional Name: 7-(benzothiophen-3-yl)-9-methoxy-4-(3-pyridylmethyl)-3,5-dihydro-2H-1,4-benzoxazepine Formula: C24H22N2O2S MolecularWeight: 402.50868

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCCN(C2)CC3=CN=CC=C3)C4=CSC5=CC=CC=C54

Isomeric SMILES

COC1=CC(=CC2=C1OCCN(C2)CC3=CN=CC=C3)C4=CSC5=CC=CC=C54

InChI

InChI=1S/C24H22N2O2S/c1-27-22-12-18(21-16-29-23-7-3-2-6-20(21)23)11-19-15-26(9-10-28-24(19)22)14-17-5-4-8-25-13-17/h2-8,11-13,16H,9-10,14-15H2,1H3