1-(2-azanyl-6-chloranyl-phenyl)-4-[2-(4-phenylpiperazin-1-yl)ethyl]-2,4-dihydro-1H-isoquinolin-3-one

Systemtic Name: 1-(2-azanyl-6-chloranyl-phenyl)-4-[2-(4-phenylpiperazin-1-yl)ethyl]-2,4-dihydro-1H-isoquinolin-3-one Openeye Name: 1-(2-amino-6-chloro-phenyl)-4-[2-(4-phenylpiperazin-1-yl)ethyl]-2,4-dihydro-1H-isoquinolin-3-one CAS Name: 1-(2-amino-6-chlorophenyl)-4-[2-(4-phenyl-1-piperazinyl)ethyl]-2,4-dihydro-1H-isoquinolin-3-one IUPAC Name: 1-(2-amino-6-chlorophenyl)-4-[2-(4-phenylpiperazin-1-yl)ethyl]-2,4-dihydro-1H-isoquinolin-3-one Traditional Name: 1-(2-amino-6-chloro-phenyl)-4-[2-(4-phenylpiperazino)ethyl]-2,4-dihydro-1H-isoquinolin-3-one Formula: C27H29ClN4O MolecularWeight: 460.99836

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC2C3=CC=CC=C3C(NC2=O)C4=C(C=CC=C4Cl)N)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CCC2C3=CC=CC=C3C(NC2=O)C4=C(C=CC=C4Cl)N)C5=CC=CC=C5

InChI

InChI=1S/C27H29ClN4O/c28-23-11-6-12-24(29)25(23)26-21-10-5-4-9-20(21)22(27(33)30-26)13-14-31-15-17-32(18-16-31)19-7-2-1-3-8-19/h1-12,22,26H,13-18,29H2,(H,30,33)