2-[[4-[2-(3-methylphenoxy)ethanoyl]piperazin-1-yl]methyl]-1H-quinolin-4-one

Systemtic Name: 2-[[4-[2-(3-methylphenoxy)ethanoyl]piperazin-1-yl]methyl]-1H-quinolin-4-one Openeye Name: 2-[[4-[2-(3-methylphenoxy)acetyl]piperazin-1-yl]methyl]-1H-quinolin-4-one CAS Name: 2-[[4-[2-(3-methylphenoxy)-1-oxoethyl]-1-piperazinyl]methyl]-1H-quinolin-4-one IUPAC Name: 2-[[4-[2-(3-methylphenoxy)acetyl]piperazin-1-yl]methyl]-1H-quinolin-4-one Traditional Name: 2-[[4-[2-(3-methylphenoxy)acetyl]piperazino]methyl]-4-quinolone Formula: C23H25N3O3 MolecularWeight: 391.4629

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC(=O)N2CCN(CC2)CC3=CC(=O)C4=CC=CC=C4N3

Isomeric SMILES

CC1=CC(=CC=C1)OCC(=O)N2CCN(CC2)CC3=CC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C23H25N3O3/c1-17-5-4-6-19(13-17)29-16-23(28)26-11-9-25(10-12-26)15-18-14-22(27)20-7-2-3-8-21(20)24-18/h2-8,13-14H,9-12,15-16H2,1H3,(H,24,27)