2-[[(2S)-2-(hydroxymethyl)piperidin-1-yl]methyl]-4-(2-methyl-1H-quinolin-4-ylidene)cyclohexa-2,5-dien-1-one

Systemtic Name: 2-[[(2S)-2-(hydroxymethyl)piperidin-1-yl]methyl]-4-(2-methyl-1H-quinolin-4-ylidene)cyclohexa-2,5-dien-1-one Openeye Name: 2-[[(2S)-2-(hydroxymethyl)-1-piperidyl]methyl]-4-(2-methyl-1H-quinolin-4-ylidene)cyclohexa-2,5-dien-1-one CAS Name: 2-[[(2S)-2-(hydroxymethyl)-1-piperidinyl]methyl]-4-(2-methyl-1H-quinolin-4-ylidene)-1-cyclohexa-2,5-dienone IUPAC Name: 2-[[(2S)-2-(hydroxymethyl)piperidin-1-yl]methyl]-4-(2-methyl-1H-quinolin-4-ylidene)cyclohexa-2,5-dien-1-one Traditional Name: 2-[[(2S)-2-methylolpiperidino]methyl]-4-(2-methyl-1H-quinolin-4-ylidene)cyclohexa-2,5-dien-1-one Formula: C23H26N2O2 MolecularWeight: 362.46474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C=CC(=O)C(=C2)CN3CCCCC3CO)C4=CC=CC=C4N1

Isomeric SMILES

CC1=CC(=C2C=CC(=O)C(=C2)CN3CCCC[C@H]3CO)C4=CC=CC=C4N1

InChI

InChI=1S/C23H26N2O2/c1-16-12-21(20-7-2-3-8-22(20)24-16)17-9-10-23(27)18(13-17)14-25-11-5-4-6-19(25)15-26/h2-3,7-10,12-13,19,24,26H,4-6,11,14-15H2,1H3/t19-/m0/s1