7-oxabicyclo[2.2.1]hepta-1,3,5-triene; 1-phenyl-2-(4-propylpiperazin-1-yl)cyclohexane-1-carbonitrile

Systemtic Name: 7-oxabicyclo[2.2.1]hepta-1,3,5-triene; 1-phenyl-2-(4-propylpiperazin-1-yl)cyclohexane-1-carbonitrile Openeye Name: 7-oxabicyclo[2.2.1]hepta-1,3,5-triene; 1-phenyl-2-(4-propylpiperazin-1-yl)cyclohexanecarbonitrile CAS Name: 7-oxabicyclo[2.2.1]hepta-1,3,5-triene; 1-phenyl-2-(4-propyl-1-piperazinyl)-1-cyclohexanecarbonitrile IUPAC Name: 7-oxabicyclo[2.2.1]hepta-1,3,5-triene; 1-phenyl-2-(4-propylpiperazin-1-yl)cyclohexane-1-carbonitrile Traditional Name: 7-oxabicyclo[2.2.1]hepta-1,3,5-triene; 1-phenyl-2-(4-propylpiperazino)cyclohexanecarbonitrile Formula: C26H33N3O MolecularWeight: 403.55972

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCN(CC1)C2CCCCC2(C#N)C3=CC=CC=C3.C1=CC2=CC=C1O2

Isomeric SMILES

CCCN1CCN(CC1)C2CCCCC2(C#N)C3=CC=CC=C3.C1=CC2=CC=C1O2

InChI

InChI=1S/C20H29N3.C6H4O/c1-2-12-22-13-15-23(16-14-22)19-10-6-7-11-20(19,17-21)18-8-4-3-5-9-18;1-2-6-4-3-5(1)7-6/h3-5,8-9,19H,2,6-7,10-16H2,1H3;1-4H