3-methyl-4-[(4-phenylpiperazin-1-yl)methyl]-2H-isoquinolin-1-one

Systemtic Name: 3-methyl-4-[(4-phenylpiperazin-1-yl)methyl]-2H-isoquinolin-1-one Openeye Name: 3-methyl-4-[(4-phenylpiperazin-1-yl)methyl]-2H-isoquinolin-1-one CAS Name: 3-methyl-4-[(4-phenyl-1-piperazinyl)methyl]-2H-isoquinolin-1-one IUPAC Name: 3-methyl-4-[(4-phenylpiperazin-1-yl)methyl]-2H-isoquinolin-1-one Traditional Name: 3-methyl-4-[(4-phenylpiperazino)methyl]isocarbostyril Formula: C21H23N3O MolecularWeight: 333.42682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2C(=O)N1)CN3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C2=CC=CC=C2C(=O)N1)CN3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C21H23N3O/c1-16-20(18-9-5-6-10-19(18)21(25)22-16)15-23-11-13-24(14-12-23)17-7-3-2-4-8-17/h2-10H,11-15H2,1H3,(H,22,25)