(2E)-1-(1-adamantyl)-2-(3,3,6-trimethyl-2,4-dihydroisoquinolin-1-ylidene)ethanone

Systemtic Name: (2E)-1-(1-adamantyl)-2-(3,3,6-trimethyl-2,4-dihydroisoquinolin-1-ylidene)ethanone Openeye Name: (2E)-1-(1-adamantyl)-2-(3,3,6-trimethyl-2,4-dihydroisoquinolin-1-ylidene)ethanone CAS Name: (2E)-1-(1-adamantyl)-2-(3,3,6-trimethyl-2,4-dihydroisoquinolin-1-ylidene)ethanone IUPAC Name: (2E)-1-(1-adamantyl)-2-(3,3,6-trimethyl-2,4-dihydroisoquinolin-1-ylidene)ethanone Traditional Name: (2E)-1-(1-adamantyl)-2-(3,3,6-trimethyl-2,4-dihydroisoquinolin-1-ylidene)ethanone Formula: C24H31NO MolecularWeight: 349.50904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)C34CC5CC(C3)CC(C5)C4)NC(C2)(C)C

Isomeric SMILES

CC1=CC2=C(C=C1)/C(=C\C(=O)C34CC5CC(C3)CC(C5)C4)/NC(C2)(C)C

InChI

InChI=1S/C24H31NO/c1-15-4-5-20-19(6-15)14-23(2,3)25-21(20)10-22(26)24-11-16-7-17(12-24)9-18(8-16)13-24/h4-6,10,16-18,25H,7-9,11-14H2,1-3H3/b21-10+