1-[4-(4-isoquinolin-1-ylcarbonylpiperazin-1-yl)phenyl]ethanone

Systemtic Name: 1-[4-(4-isoquinolin-1-ylcarbonylpiperazin-1-yl)phenyl]ethanone Openeye Name: 1-[4-[4-(isoquinoline-1-carbonyl)piperazin-1-yl]phenyl]ethanone CAS Name: 1-[4-[4-[1-isoquinolinyl(oxo)methyl]-1-piperazinyl]phenyl]ethanone IUPAC Name: 1-[4-[4-(isoquinoline-1-carbonyl)piperazin-1-yl]phenyl]ethanone Traditional Name: 1-[4-[4-(isoquinoline-1-carbonyl)piperazino]phenyl]ethanone Formula: C22H21N3O2 MolecularWeight: 359.42104

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=NC=CC4=CC=CC=C43

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=NC=CC4=CC=CC=C43

InChI

InChI=1S/C22H21N3O2/c1-16(26)17-6-8-19(9-7-17)24-12-14-25(15-13-24)22(27)21-20-5-3-2-4-18(20)10-11-23-21/h2-11H,12-15H2,1H3