(2-cycloheptyl-6-oxidanyl-1-benzothiophen-3-yl)-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]methanone

Systemtic Name: (2-cycloheptyl-6-oxidanyl-1-benzothiophen-3-yl)-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]methanone Openeye Name: (2-cycloheptyl-6-hydroxy-benzothiophen-3-yl)-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]methanone CAS Name: (2-cycloheptyl-6-hydroxy-1-benzothiophen-3-yl)-[4-[3-(1-pyrrolidinyl)propoxy]phenyl]methanone IUPAC Name: (2-cycloheptyl-6-hydroxy-1-benzothiophen-3-yl)-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]methanone Traditional Name: (2-cycloheptyl-6-hydroxy-benzothiophen-3-yl)-[4-(3-pyrrolidinopropoxy)phenyl]methanone Formula: C29H35NO3S MolecularWeight: 477.6581

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)C2=C(C3=C(S2)C=C(C=C3)O)C(=O)C4=CC=C(C=C4)OCCCN5CCCC5

Isomeric SMILES

C1CCCC(CC1)C2=C(C3=C(S2)C=C(C=C3)O)C(=O)C4=CC=C(C=C4)OCCCN5CCCC5

InChI

InChI=1S/C29H35NO3S/c31-23-12-15-25-26(20-23)34-29(22-8-3-1-2-4-9-22)27(25)28(32)21-10-13-24(14-11-21)33-19-7-18-30-16-5-6-17-30/h10-15,20,22,31H,1-9,16-19H2