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4-[(E)-3-[3-(4-chlorophenyl)-1-adamantyl]prop-2-enoyl]benzenecarbonitrile

4-[(E)-3-[3-(4-chlorophenyl)-1-adamantyl]prop-2-enoyl]benzenecarbonitrile

Systemtic Name:4-[(E)-3-[3-(4-chlorophenyl)-1-adamantyl]prop-2-enoyl]benzenecarbonitrile
Openeye Name:4-[(E)-3-[3-(4-chlorophenyl)-1-adamantyl]prop-2-enoyl]benzonitrile
CAS Name:4-[(E)-3-[3-(4-chlorophenyl)-1-adamantyl]-1-oxoprop-2-enyl]benzonitrile
IUPAC Name:4-[(E)-3-[3-(4-chlorophenyl)-1-adamantyl]prop-2-enoyl]benzonitrile
Traditional Name:4-[(E)-3-[3-(4-chlorophenyl)-1-adamantyl]acryloyl]benzonitrile
Formula: C26H24ClNO
MolecularWeight: 401.92786
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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)C4=CC=C(C=C4)Cl)C=CC(=O)C5=CC=C(C=C5)C#N


Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)C4=CC=C(C=C4)Cl)/C=C/C(=O)C5=CC=C(C=C5)C#N


InChI

InChI=1S/C26H24ClNO/c27-23-7-5-22(6-8-23)26-14-19-11-20(15-26)13-25(12-19,17-26)10-9-24(29)21-3-1-18(16-28)2-4-21/h1-10,19-20H,11-15,17H2/b10-9+


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