2-methyl-4-(4-phenylpiperazin-1-yl)carbonyl-isoquinolin-1-one

Systemtic Name: 2-methyl-4-(4-phenylpiperazin-1-yl)carbonyl-isoquinolin-1-one Openeye Name: 2-methyl-4-(4-phenylpiperazine-1-carbonyl)isoquinolin-1-one CAS Name: 2-methyl-4-[oxo-(4-phenyl-1-piperazinyl)methyl]-1-isoquinolinone IUPAC Name: 2-methyl-4-(4-phenylpiperazine-1-carbonyl)isoquinolin-1-one Traditional Name: 2-methyl-4-(4-phenylpiperazine-1-carbonyl)isocarbostyril Formula: C21H21N3O2 MolecularWeight: 347.41034

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C2C1=O)C(=O)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CN1C=C(C2=CC=CC=C2C1=O)C(=O)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C21H21N3O2/c1-22-15-19(17-9-5-6-10-18(17)20(22)25)21(26)24-13-11-23(12-14-24)16-7-3-2-4-8-16/h2-10,15H,11-14H2,1H3