(2E)-2-[3-(1-adamantylamino)-1H-quinoxalin-2-ylidene]-1-(4-methylphenyl)ethanone

Systemtic Name: (2E)-2-[3-(1-adamantylamino)-1H-quinoxalin-2-ylidene]-1-(4-methylphenyl)ethanone Openeye Name: (2E)-2-[3-(1-adamantylamino)-1H-quinoxalin-2-ylidene]-1-(p-tolyl)ethanone CAS Name: (2E)-2-[3-(1-adamantylamino)-1H-quinoxalin-2-ylidene]-1-(4-methylphenyl)ethanone IUPAC Name: (2E)-2-[3-(1-adamantylamino)-1H-quinoxalin-2-ylidene]-1-(4-methylphenyl)ethanone Traditional Name: (2E)-2-[3-(1-adamantylamino)-1H-quinoxalin-2-ylidene]-1-(p-tolyl)ethanone Formula: C27H29N3O MolecularWeight: 411.53866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C=C2C(=NC3=CC=CC=C3N2)NC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)/C=C/2\C(=NC3=CC=CC=C3N2)NC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C27H29N3O/c1-17-6-8-21(9-7-17)25(31)13-24-26(29-23-5-3-2-4-22(23)28-24)30-27-14-18-10-19(15-27)12-20(11-18)16-27/h2-9,13,18-20,28H,10-12,14-16H2,1H3,(H,29,30)/b24-13+