4-[3-[4-[[4-(cyanomethoxy)phenyl]-phenyl-methyl]piperazin-1-yl]-2-oxidanyl-propoxy]-1H-indole-2-carbonitrile

Systemtic Name: 4-[3-[4-[[4-(cyanomethoxy)phenyl]-phenyl-methyl]piperazin-1-yl]-2-oxidanyl-propoxy]-1H-indole-2-carbonitrile Openeye Name: 4-[3-[4-[[4-(cyanomethoxy)phenyl]-phenyl-methyl]piperazin-1-yl]-2-hydroxy-propoxy]-1H-indole-2-carbonitrile CAS Name: 4-[3-[4-[[4-(cyanomethoxy)phenyl]-phenylmethyl]-1-piperazinyl]-2-hydroxypropoxy]-1H-indole-2-carbonitrile IUPAC Name: 4-[3-[4-[[4-(cyanomethoxy)phenyl]-phenylmethyl]piperazin-1-yl]-2-hydroxypropoxy]-1H-indole-2-carbonitrile Traditional Name: 4-[3-[4-[[4-(cyanomethoxy)phenyl]-phenyl-methyl]piperazino]-2-hydroxy-propoxy]-1H-indole-2-carbonitrile Formula: C31H31N5O3 MolecularWeight: 521.60954

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H31N5O3/c32-13-18-38-27-11-9-24(10-12-27)31(23-5-2-1-3-6-23)36-16-14-35(15-17-36)21-26(37)22-39-30-8-4-7-29-28(30)19-25(20-33)34-29/h1-12,19,26,31,34,37H,14-18,21-22H2