4-[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenyl]butan-2-one

Systemtic Name: 4-[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenyl]butan-2-one Openeye Name: 4-[4-[1-(4-ethylpiperazin-1-yl)-3-isoquinolyl]phenyl]butan-2-one CAS Name: 4-[4-[1-(4-ethyl-1-piperazinyl)-3-isoquinolinyl]phenyl]-2-butanone IUPAC Name: 4-[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenyl]butan-2-one Traditional Name: 4-[4-[1-(4-ethylpiperazino)-3-isoquinolyl]phenyl]butan-2-one Formula: C25H29N3O MolecularWeight: 387.51726

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)CCC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C25H29N3O/c1-3-27-14-16-28(17-15-27)25-23-7-5-4-6-22(23)18-24(26-25)21-12-10-20(11-13-21)9-8-19(2)29/h4-7,10-13,18H,3,8-9,14-17H2,1-2H3