(2E)-2-(3,3,4,4-tetramethyl-2H-isoquinolin-1-ylidene)-1-(1-thiophen-2-ylcarbonylpiperidin-4-yl)ethanone

Systemtic Name: (2E)-2-(3,3,4,4-tetramethyl-2H-isoquinolin-1-ylidene)-1-(1-thiophen-2-ylcarbonylpiperidin-4-yl)ethanone Openeye Name: (2E)-2-(3,3,4,4-tetramethyl-2H-isoquinolin-1-ylidene)-1-[1-(thiophene-2-carbonyl)-4-piperidyl]ethanone CAS Name: (2E)-1-[1-[oxo(thiophen-2-yl)methyl]-4-piperidinyl]-2-(3,3,4,4-tetramethyl-2H-isoquinolin-1-ylidene)ethanone IUPAC Name: (2E)-2-(3,3,4,4-tetramethyl-2H-isoquinolin-1-ylidene)-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]ethanone Traditional Name: (2E)-2-(3,3,4,4-tetramethyl-2H-isoquinolin-1-ylidene)-1-[1-(2-thenoyl)-4-piperidyl]ethanone Formula: C25H30N2O2S MolecularWeight: 422.5829

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC=CC=C2C(=CC(=O)C3CCN(CC3)C(=O)C4=CC=CS4)NC1(C)C)C

Isomeric SMILES

CC1(C2=CC=CC=C2/C(=C\C(=O)C3CCN(CC3)C(=O)C4=CC=CS4)/NC1(C)C)C

InChI

InChI=1S/C25H30N2O2S/c1-24(2)19-9-6-5-8-18(19)20(26-25(24,3)4)16-21(28)17-11-13-27(14-12-17)23(29)22-10-7-15-30-22/h5-10,15-17,26H,11-14H2,1-4H3/b20-16+