3-oxidanyl-4-[[[4-(phenylmethyl)piperazin-1-yl]amino]methylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: 3-oxidanyl-4-[[[4-(phenylmethyl)piperazin-1-yl]amino]methylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[[(4-benzylpiperazin-1-yl)amino]methylene]-3-hydroxy-cyclohexa-2,5-dien-1-one CAS Name: 3-hydroxy-4-[[[4-(phenylmethyl)-1-piperazinyl]amino]methylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[[(4-benzylpiperazin-1-yl)amino]methylidene]-3-hydroxycyclohexa-2,5-dien-1-one Traditional Name: 4-[[(4-benzylpiperazino)amino]methylene]-3-hydroxy-cyclohexa-2,5-dien-1-one Formula: C18H21N3O2 MolecularWeight: 311.37824

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)NC=C3C=CC(=O)C=C3O

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)NC=C3C=CC(=O)C=C3O

InChI

InChI=1S/C18H21N3O2/c22-17-7-6-16(18(23)12-17)13-19-21-10-8-20(9-11-21)14-15-4-2-1-3-5-15/h1-7,12-13,19,23H,8-11,14H2