2-[(4-methylphenyl)methyl]-5-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethoxy]-3,4-dihydroisoquinolin-1-one

Systemtic Name: 2-[(4-methylphenyl)methyl]-5-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethoxy]-3,4-dihydroisoquinolin-1-one Openeye Name: 5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]-2-(p-tolylmethyl)-3,4-dihydroisoquinolin-1-one CAS Name: 2-[(4-methylphenyl)methyl]-5-[2-oxo-2-(4-phenyl-1-piperazinyl)ethoxy]-3,4-dihydroisoquinolin-1-one IUPAC Name: 2-[(4-methylphenyl)methyl]-5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]-3,4-dihydroisoquinolin-1-one Traditional Name: 5-[2-keto-2-(4-phenylpiperazino)ethoxy]-2-(4-methylbenzyl)-3,4-dihydroisocarbostyril Formula: C29H31N3O3 MolecularWeight: 469.57474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CCC3=C(C2=O)C=CC=C3OCC(=O)N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)CN2CCC3=C(C2=O)C=CC=C3OCC(=O)N4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C29H31N3O3/c1-22-10-12-23(13-11-22)20-32-15-14-25-26(29(32)34)8-5-9-27(25)35-21-28(33)31-18-16-30(17-19-31)24-6-3-2-4-7-24/h2-13H,14-21H2,1H3