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

Systemtic Name: N-[4-[5-(1-adamantyl)-1,2,3-triazol-1-yl]phenyl]-4-ethoxy-benzamide Openeye Name: N-[4-[5-(1-adamantyl)triazol-1-yl]phenyl]-4-ethoxy-benzamide CAS Name: N-[4-[5-(1-adamantyl)-1-triazolyl]phenyl]-4-ethoxybenzamide IUPAC Name: N-[4-[5-(1-adamantyl)triazol-1-yl]phenyl]-4-ethoxybenzamide Traditional Name: N-[4-[5-(1-adamantyl)triazol-1-yl]phenyl]-4-ethoxy-benzamide Formula: C27H30N4O2 MolecularWeight: 442.5527

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)N3C(=CN=N3)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)N3C(=CN=N3)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C27H30N4O2/c1-2-33-24-9-3-21(4-10-24)26(32)29-22-5-7-23(8-6-22)31-25(17-28-30-31)27-14-18-11-19(15-27)13-20(12-18)16-27/h3-10,17-20H,2,11-16H2,1H3,(H,29,32)