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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CCC3=C(C2=O)C=CC=C3OCC(=O)N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=CC=C1CN2CCC3=C(C2=O)C=CC=C3OCC(=O)N4CCN(CC4)C5=CC=CC=C5

InChI

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