N-[4-[5-(1-adamantyl)-1,2,3-triazol-1-yl]phenyl]-4-propoxy-benzamide

Systemtic Name: N-[4-[5-(1-adamantyl)-1,2,3-triazol-1-yl]phenyl]-4-propoxy-benzamide Openeye Name: N-[4-[5-(1-adamantyl)triazol-1-yl]phenyl]-4-propoxy-benzamide CAS Name: N-[4-[5-(1-adamantyl)-1-triazolyl]phenyl]-4-propoxybenzamide IUPAC Name: N-[4-[5-(1-adamantyl)triazol-1-yl]phenyl]-4-propoxybenzamide Traditional Name: N-[4-[5-(1-adamantyl)triazol-1-yl]phenyl]-4-propoxy-benzamide Formula: C28H32N4O2 MolecularWeight: 456.57928

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)N3C(=CN=N3)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)N3C(=CN=N3)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C28H32N4O2/c1-2-11-34-25-9-3-22(4-10-25)27(33)30-23-5-7-24(8-6-23)32-26(18-29-31-32)28-15-19-12-20(16-28)14-21(13-19)17-28/h3-10,18-21H,2,11-17H2,1H3,(H,30,33)