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

Systemtic Name: N-[4-[5-(1-adamantyl)-1,2,3-triazol-1-yl]phenyl]-4-butoxy-benzamide Openeye Name: N-[4-[5-(1-adamantyl)triazol-1-yl]phenyl]-4-butoxy-benzamide CAS Name: N-[4-[5-(1-adamantyl)-1-triazolyl]phenyl]-4-butoxybenzamide IUPAC Name: N-[4-[5-(1-adamantyl)triazol-1-yl]phenyl]-4-butoxybenzamide Traditional Name: N-[4-[5-(1-adamantyl)triazol-1-yl]phenyl]-4-butoxy-benzamide Formula: C29H34N4O2 MolecularWeight: 470.60586

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)N3C(=CN=N3)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)N3C(=CN=N3)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C29H34N4O2/c1-2-3-12-35-26-10-4-23(5-11-26)28(34)31-24-6-8-25(9-7-24)33-27(19-30-32-33)29-16-20-13-21(17-29)15-22(14-20)18-29/h4-11,19-22H,2-3,12-18H2,1H3,(H,31,34)