3-[[[3-(hydroxymethyl)-4-piperidin-1-yl-phenyl]amino]methyl]-6-methyl-1H-quinolin-2-one

Systemtic Name: 3-[[[3-(hydroxymethyl)-4-piperidin-1-yl-phenyl]amino]methyl]-6-methyl-1H-quinolin-2-one Openeye Name: 3-[[3-(hydroxymethyl)-4-(1-piperidyl)anilino]methyl]-6-methyl-1H-quinolin-2-one CAS Name: 3-[[3-(hydroxymethyl)-4-(1-piperidinyl)anilino]methyl]-6-methyl-1H-quinolin-2-one IUPAC Name: 3-[[3-(hydroxymethyl)-4-piperidin-1-ylanilino]methyl]-6-methyl-1H-quinolin-2-one Traditional Name: 6-methyl-3-[(3-methylol-4-piperidino-anilino)methyl]carbostyril Formula: C23H27N3O2 MolecularWeight: 377.47938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=O)C(=C2)CNC3=CC(=C(C=C3)N4CCCCC4)CO

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=O)C(=C2)CNC3=CC(=C(C=C3)N4CCCCC4)CO

InChI

InChI=1S/C23H27N3O2/c1-16-5-7-21-17(11-16)12-18(23(28)25-21)14-24-20-6-8-22(19(13-20)15-27)26-9-3-2-4-10-26/h5-8,11-13,24,27H,2-4,9-10,14-15H2,1H3,(H,25,28)