4-[4-(5-oxidanyl-5-phenyl-2,3,3a,4,6,6a-hexahydro-1H-pentalen-2-yl)piperazin-1-yl]benzenecarbonitrile

Systemtic Name: 4-[4-(5-oxidanyl-5-phenyl-2,3,3a,4,6,6a-hexahydro-1H-pentalen-2-yl)piperazin-1-yl]benzenecarbonitrile Openeye Name: 4-[4-(5-hydroxy-5-phenyl-2,3,3a,4,6,6a-hexahydro-1H-pentalen-2-yl)piperazin-1-yl]benzonitrile CAS Name: 4-[4-(5-hydroxy-5-phenyl-2,3,3a,4,6,6a-hexahydro-1H-pentalen-2-yl)-1-piperazinyl]benzonitrile IUPAC Name: 4-[4-(5-hydroxy-5-phenyl-2,3,3a,4,6,6a-hexahydro-1H-pentalen-2-yl)piperazin-1-yl]benzonitrile Traditional Name: 4-[4-(5-hydroxy-5-phenyl-2,3,3a,4,6,6a-hexahydro-1H-pentalen-2-yl)piperazino]benzonitrile Formula: C25H29N3O MolecularWeight: 387.51726

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2CC3CC(CC3C2)(C4=CC=CC=C4)O)C5=CC=C(C=C5)C#N

Isomeric SMILES

C1CN(CCN1C2CC3CC(CC3C2)(C4=CC=CC=C4)O)C5=CC=C(C=C5)C#N

InChI

InChI=1S/C25H29N3O/c26-18-19-6-8-23(9-7-19)27-10-12-28(13-11-27)24-14-20-16-25(29,17-21(20)15-24)22-4-2-1-3-5-22/h1-9,20-21,24,29H,10-17H2