6-[3-(1-adamantyl)-4-methoxy-phenyl]naphthalene-2-carbonitrile

Systemtic Name: 6-[3-(1-adamantyl)-4-methoxy-phenyl]naphthalene-2-carbonitrile Openeye Name: 6-[3-(1-adamantyl)-4-methoxy-phenyl]naphthalene-2-carbonitrile CAS Name: 6-[3-(1-adamantyl)-4-methoxyphenyl]-2-naphthalenecarbonitrile IUPAC Name: 6-[3-(1-adamantyl)-4-methoxyphenyl]naphthalene-2-carbonitrile Traditional Name: 6-[3-(1-adamantyl)-4-methoxy-phenyl]naphthalene-2-carbonitrile Formula: C28H27NO MolecularWeight: 393.52008

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CC3=C(C=C2)C=C(C=C3)C#N)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC3=C(C=C2)C=C(C=C3)C#N)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C28H27NO/c1-30-27-7-6-25(24-5-4-22-11-18(17-29)2-3-23(22)12-24)13-26(27)28-14-19-8-20(15-28)10-21(9-19)16-28/h2-7,11-13,19-21H,8-10,14-16H2,1H3