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

Systemtic Name: N-[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenyl]propanamide Openeye Name: N-[4-[1-(4-ethylpiperazin-1-yl)-3-isoquinolyl]phenyl]propanamide CAS Name: N-[4-[1-(4-ethyl-1-piperazinyl)-3-isoquinolinyl]phenyl]propanamide IUPAC Name: N-[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenyl]propanamide Traditional Name: N-[4-[1-(4-ethylpiperazino)-3-isoquinolyl]phenyl]propionamide Formula: C24H28N4O MolecularWeight: 388.50532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28N4O/c1-3-23(29)25-20-11-9-18(10-12-20)22-17-19-7-5-6-8-21(19)24(26-22)28-15-13-27(4-2)14-16-28/h5-12,17H,3-4,13-16H2,1-2H3,(H,25,29)