[4-[2-(azepan-1-yl)ethoxy]phenyl]-(6-oxidanyl-2-phenyl-1-benzothiophen-3-yl)methanone

Systemtic Name: [4-[2-(azepan-1-yl)ethoxy]phenyl]-(6-oxidanyl-2-phenyl-1-benzothiophen-3-yl)methanone Openeye Name: [4-[2-(azepan-1-yl)ethoxy]phenyl]-(6-hydroxy-2-phenyl-benzothiophen-3-yl)methanone CAS Name: [4-[2-(1-azepanyl)ethoxy]phenyl]-(6-hydroxy-2-phenyl-1-benzothiophen-3-yl)methanone IUPAC Name: [4-[2-(azepan-1-yl)ethoxy]phenyl]-(6-hydroxy-2-phenyl-1-benzothiophen-3-yl)methanone Traditional Name: [4-[2-(azepan-1-yl)ethoxy]phenyl]-(6-hydroxy-2-phenyl-benzothiophen-3-yl)methanone Formula: C29H29NO3S MolecularWeight: 471.61046

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CCOC2=CC=C(C=C2)C(=O)C3=C(SC4=C3C=CC(=C4)O)C5=CC=CC=C5

Isomeric SMILES

C1CCCN(CC1)CCOC2=CC=C(C=C2)C(=O)C3=C(SC4=C3C=CC(=C4)O)C5=CC=CC=C5

InChI

InChI=1S/C29H29NO3S/c31-23-12-15-25-26(20-23)34-29(22-8-4-3-5-9-22)27(25)28(32)21-10-13-24(14-11-21)33-19-18-30-16-6-1-2-7-17-30/h3-5,8-15,20,31H,1-2,6-7,16-19H2