2-[[(3S)-3-methylpiperidin-1-yl]methyl]-4-(1H-pyrimidin-2-ylidene)cyclohexa-2,5-dien-1-one

Systemtic Name: 2-[[(3S)-3-methylpiperidin-1-yl]methyl]-4-(1H-pyrimidin-2-ylidene)cyclohexa-2,5-dien-1-one Openeye Name: 2-[[(3S)-3-methyl-1-piperidyl]methyl]-4-(1H-pyrimidin-2-ylidene)cyclohexa-2,5-dien-1-one CAS Name: 2-[[(3S)-3-methyl-1-piperidinyl]methyl]-4-(1H-pyrimidin-2-ylidene)-1-cyclohexa-2,5-dienone IUPAC Name: 2-[[(3S)-3-methylpiperidin-1-yl]methyl]-4-(1H-pyrimidin-2-ylidene)cyclohexa-2,5-dien-1-one Traditional Name: 2-[[(3S)-3-methylpiperidino]methyl]-4-(1H-pyrimidin-2-ylidene)cyclohexa-2,5-dien-1-one Formula: C17H21N3O MolecularWeight: 283.36814

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)CC2=CC(=C3NC=CC=N3)C=CC2=O

Isomeric SMILES

C[C@H]1CCCN(C1)CC2=CC(=C3NC=CC=N3)C=CC2=O

InChI

InChI=1S/C17H21N3O/c1-13-4-2-9-20(11-13)12-15-10-14(5-6-16(15)21)17-18-7-3-8-19-17/h3,5-8,10,13,18H,2,4,9,11-12H2,1H3/t13-/m0/s1