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

Systemtic Name: 3-methyl-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]-3-methyl-benzonitrile CAS Name: 4-[4-(5-hydroxy-5-phenyl-2,3,3a,4,6,6a-hexahydro-1H-pentalen-2-yl)-1-piperazinyl]-3-methylbenzonitrile IUPAC Name: 4-[4-(5-hydroxy-5-phenyl-2,3,3a,4,6,6a-hexahydro-1H-pentalen-2-yl)piperazin-1-yl]-3-methylbenzonitrile Traditional Name: 4-[4-(5-hydroxy-5-phenyl-2,3,3a,4,6,6a-hexahydro-1H-pentalen-2-yl)piperazino]-3-methyl-benzonitrile Formula: C26H31N3O MolecularWeight: 401.54384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C#N)N2CCN(CC2)C3CC4CC(CC4C3)(C5=CC=CC=C5)O

Isomeric SMILES

CC1=C(C=CC(=C1)C#N)N2CCN(CC2)C3CC4CC(CC4C3)(C5=CC=CC=C5)O

InChI

InChI=1S/C26H31N3O/c1-19-13-20(18-27)7-8-25(19)29-11-9-28(10-12-29)24-14-21-16-26(30,17-22(21)15-24)23-5-3-2-4-6-23/h2-8,13,21-22,24,30H,9-12,14-17H2,1H3