4-[3-[4-[[4-[bis(fluoranyl)methoxy]phenyl]-thiophen-3-yl-methyl]piperazin-1-yl]-2-oxidanyl-propoxy]-1H-indole-2-carbonitrile

Systemtic Name: 4-[3-[4-[[4-[bis(fluoranyl)methoxy]phenyl]-thiophen-3-yl-methyl]piperazin-1-yl]-2-oxidanyl-propoxy]-1H-indole-2-carbonitrile Openeye Name: 4-[3-[4-[[4-(difluoromethoxy)phenyl]-(3-thienyl)methyl]piperazin-1-yl]-2-hydroxy-propoxy]-1H-indole-2-carbonitrile CAS Name: 4-[3-[4-[[4-(difluoromethoxy)phenyl]-(3-thiophenyl)methyl]-1-piperazinyl]-2-hydroxypropoxy]-1H-indole-2-carbonitrile IUPAC Name: 4-[3-[4-[[4-(difluoromethoxy)phenyl]-thiophen-3-ylmethyl]piperazin-1-yl]-2-hydroxypropoxy]-1H-indole-2-carbonitrile Traditional Name: 4-[3-[4-[[4-(difluoromethoxy)phenyl]-(3-thienyl)methyl]piperazino]-2-hydroxy-propoxy]-1H-indole-2-carbonitrile Formula: C28H28F2N4O3S MolecularWeight: 538.608726

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(COC2=CC=CC3=C2C=C(N3)C#N)O)C(C4=CC=C(C=C4)OC(F)F)C5=CSC=C5

Isomeric SMILES

C1CN(CCN1CC(COC2=CC=CC3=C2C=C(N3)C#N)O)C(C4=CC=C(C=C4)OC(F)F)C5=CSC=C5

InChI

InChI=1S/C28H28F2N4O3S/c29-28(30)37-23-6-4-19(5-7-23)27(20-8-13-38-18-20)34-11-9-33(10-12-34)16-22(35)17-36-26-3-1-2-25-24(26)14-21(15-31)32-25/h1-8,13-14,18,22,27-28,32,35H,9-12,16-17H2