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

Systemtic Name: 7-(1-benzothiophen-3-yl)-9-methoxy-4-(pyridin-4-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepine Openeye Name: 7-(benzothiophen-3-yl)-9-methoxy-4-(4-pyridylmethyl)-3,5-dihydro-2H-1,4-benzoxazepine CAS Name: 7-(1-benzothiophen-3-yl)-9-methoxy-4-(pyridin-4-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepine IUPAC Name: 7-(1-benzothiophen-3-yl)-9-methoxy-4-(pyridin-4-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepine Traditional Name: 7-(benzothiophen-3-yl)-9-methoxy-4-(4-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=CC=NC=C3)C4=CSC5=CC=CC=C54

Isomeric SMILES

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

InChI

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