methyl 3-[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenyl]-2,2-dimethyl-propanoate

Systemtic Name: methyl 3-[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenyl]-2,2-dimethyl-propanoate Openeye Name: methyl 3-[4-[1-(4-ethylpiperazin-1-yl)-3-isoquinolyl]phenyl]-2,2-dimethyl-propanoate CAS Name: 3-[4-[1-(4-ethyl-1-piperazinyl)-3-isoquinolinyl]phenyl]-2,2-dimethylpropanoic acid methyl ester IUPAC Name: methyl 3-[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenyl]-2,2-dimethylpropanoate Traditional Name: 3-[4-[1-(4-ethylpiperazino)-3-isoquinolyl]phenyl]-2,2-dimethyl-propionic acid methyl ester Formula: C27H33N3O2 MolecularWeight: 431.56982

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C4=CC=C(C=C4)CC(C)(C)C(=O)OC

Isomeric SMILES

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C4=CC=C(C=C4)CC(C)(C)C(=O)OC

InChI

InChI=1S/C27H33N3O2/c1-5-29-14-16-30(17-15-29)25-23-9-7-6-8-22(23)18-24(28-25)21-12-10-20(11-13-21)19-27(2,3)26(31)32-4/h6-13,18H,5,14-17,19H2,1-4H3