2-[2,4-bis(fluoranyl)phenyl]-4-(4-ethylpiperazin-1-yl)carbonyl-isoquinolin-1-one

Systemtic Name: 2-[2,4-bis(fluoranyl)phenyl]-4-(4-ethylpiperazin-1-yl)carbonyl-isoquinolin-1-one Openeye Name: 2-(2,4-difluorophenyl)-4-(4-ethylpiperazine-1-carbonyl)isoquinolin-1-one CAS Name: 2-(2,4-difluorophenyl)-4-[(4-ethyl-1-piperazinyl)-oxomethyl]-1-isoquinolinone IUPAC Name: 2-(2,4-difluorophenyl)-4-(4-ethylpiperazine-1-carbonyl)isoquinolin-1-one Traditional Name: 2-(2,4-difluorophenyl)-4-(4-ethylpiperazine-1-carbonyl)isocarbostyril Formula: C22H21F2N3O2 MolecularWeight: 397.417846

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(=O)C2=CN(C(=O)C3=CC=CC=C32)C4=C(C=C(C=C4)F)F

Isomeric SMILES

CCN1CCN(CC1)C(=O)C2=CN(C(=O)C3=CC=CC=C32)C4=C(C=C(C=C4)F)F

InChI

InChI=1S/C22H21F2N3O2/c1-2-25-9-11-26(12-10-25)21(28)18-14-27(20-8-7-15(23)13-19(20)24)22(29)17-6-4-3-5-16(17)18/h3-8,13-14H,2,9-12H2,1H3