3-[2-[4-(2-oxidanyl-3-phenoxy-propyl)piperazin-1-yl]quinolin-8-yl]benzenecarbonitrile

Systemtic Name: 3-[2-[4-(2-oxidanyl-3-phenoxy-propyl)piperazin-1-yl]quinolin-8-yl]benzenecarbonitrile Openeye Name: 3-[2-[4-(2-hydroxy-3-phenoxy-propyl)piperazin-1-yl]-8-quinolyl]benzonitrile CAS Name: 3-[2-[4-(2-hydroxy-3-phenoxypropyl)-1-piperazinyl]-8-quinolinyl]benzonitrile IUPAC Name: 3-[2-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]quinolin-8-yl]benzonitrile Traditional Name: 3-[2-[4-(2-hydroxy-3-phenoxy-propyl)piperazino]-8-quinolyl]benzonitrile Formula: C29H28N4O2 MolecularWeight: 464.55822

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(COC2=CC=CC=C2)O)C3=NC4=C(C=CC=C4C5=CC=CC(=C5)C#N)C=C3

Isomeric SMILES

C1CN(CCN1CC(COC2=CC=CC=C2)O)C3=NC4=C(C=CC=C4C5=CC=CC(=C5)C#N)C=C3

InChI

InChI=1S/C29H28N4O2/c30-19-22-6-4-8-24(18-22)27-11-5-7-23-12-13-28(31-29(23)27)33-16-14-32(15-17-33)20-25(34)21-35-26-9-2-1-3-10-26/h1-13,18,25,34H,14-17,20-21H2