N-[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenyl]butanamide

Systemtic Name: N-[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenyl]butanamide Openeye Name: N-[4-[1-(4-ethylpiperazin-1-yl)-3-isoquinolyl]phenyl]butanamide CAS Name: N-[4-[1-(4-ethyl-1-piperazinyl)-3-isoquinolinyl]phenyl]butanamide IUPAC Name: N-[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenyl]butanamide Traditional Name: N-[4-[1-(4-ethylpiperazino)-3-isoquinolyl]phenyl]butyramide Formula: C25H30N4O MolecularWeight: 402.5319

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC=C(C=C1)C2=CC3=CC=CC=C3C(=N2)N4CCN(CC4)CC

Isomeric SMILES

CCCC(=O)NC1=CC=C(C=C1)C2=CC3=CC=CC=C3C(=N2)N4CCN(CC4)CC

InChI

InChI=1S/C25H30N4O/c1-3-7-24(30)26-21-12-10-19(11-13-21)23-18-20-8-5-6-9-22(20)25(27-23)29-16-14-28(4-2)15-17-29/h5-6,8-13,18H,3-4,7,14-17H2,1-2H3,(H,26,30)