(E)-1-(1-adamantyl)-3-[3-(benzotriazol-1-ylmethyl)-4-methoxy-phenyl]prop-2-en-1-one

Systemtic Name: (E)-1-(1-adamantyl)-3-[3-(benzotriazol-1-ylmethyl)-4-methoxy-phenyl]prop-2-en-1-one Openeye Name: (E)-1-(1-adamantyl)-3-[3-(benzotriazol-1-ylmethyl)-4-methoxy-phenyl]prop-2-en-1-one CAS Name: (E)-1-(1-adamantyl)-3-[3-(1-benzotriazolylmethyl)-4-methoxyphenyl]-2-propen-1-one IUPAC Name: (E)-1-(1-adamantyl)-3-[3-(benzotriazol-1-ylmethyl)-4-methoxyphenyl]prop-2-en-1-one Traditional Name: (E)-1-(1-adamantyl)-3-[3-(benzotriazol-1-ylmethyl)-4-methoxy-phenyl]prop-2-en-1-one Formula: C27H29N3O2 MolecularWeight: 427.53806

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)C23CC4CC(C2)CC(C4)C3)CN5C6=CC=CC=C6N=N5

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)C23CC4CC(C2)CC(C4)C3)CN5C6=CC=CC=C6N=N5

InChI

InChI=1S/C27H29N3O2/c1-32-25-8-6-18(13-22(25)17-30-24-5-3-2-4-23(24)28-29-30)7-9-26(31)27-14-19-10-20(15-27)12-21(11-19)16-27/h2-9,13,19-21H,10-12,14-17H2,1H3/b9-7+