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

Systemtic Name: [4-[2-(azepan-1-yl)ethoxy]phenyl]-(2-phenyl-1-benzothiophen-3-yl)methanone Openeye Name: [4-[2-(azepan-1-yl)ethoxy]phenyl]-(2-phenylbenzothiophen-3-yl)methanone CAS Name: [4-[2-(1-azepanyl)ethoxy]phenyl]-(2-phenyl-1-benzothiophen-3-yl)methanone IUPAC Name: [4-[2-(azepan-1-yl)ethoxy]phenyl]-(2-phenyl-1-benzothiophen-3-yl)methanone Traditional Name: [4-[2-(azepan-1-yl)ethoxy]phenyl]-(2-phenylbenzothiophen-3-yl)methanone Formula: C29H29NO2S MolecularWeight: 455.61106

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CCOC2=CC=C(C=C2)C(=O)C3=C(SC4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

C1CCCN(CC1)CCOC2=CC=C(C=C2)C(=O)C3=C(SC4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C29H29NO2S/c31-28(22-14-16-24(17-15-22)32-21-20-30-18-8-1-2-9-19-30)27-25-12-6-7-13-26(25)33-29(27)23-10-4-3-5-11-23/h3-7,10-17H,1-2,8-9,18-21H2