5-[3-[4-(diphenylmethyl)piperazin-1-yl]-2-oxidanyl-propoxy]quinoline-2-carbonitrile

Systemtic Name: 5-[3-[4-(diphenylmethyl)piperazin-1-yl]-2-oxidanyl-propoxy]quinoline-2-carbonitrile Openeye Name: 5-[3-(4-benzhydrylpiperazin-1-yl)-2-hydroxy-propoxy]quinoline-2-carbonitrile CAS Name: 5-[3-[4-(diphenylmethyl)-1-piperazinyl]-2-hydroxypropoxy]-2-quinolinecarbonitrile IUPAC Name: 5-[3-(4-benzhydrylpiperazin-1-yl)-2-hydroxypropoxy]quinoline-2-carbonitrile Traditional Name: 5-[3-(4-benzhydrylpiperazino)-2-hydroxy-propoxy]quinaldonitrile Formula: C30H30N4O2 MolecularWeight: 478.5848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H30N4O2/c31-20-25-14-15-27-28(32-25)12-7-13-29(27)36-22-26(35)21-33-16-18-34(19-17-33)30(23-8-3-1-4-9-23)24-10-5-2-6-11-24/h1-15,26,30,35H,16-19,21-22H2