4-[[(3Z)-3-(3,6-dimethyl-1H-pyrazin-2-ylidene)-6-oxidanylidene-cyclohexa-1,4-dien-1-yl]methyl]piperazine-1-carbaldehyde

Systemtic Name: 4-[[(3Z)-3-(3,6-dimethyl-1H-pyrazin-2-ylidene)-6-oxidanylidene-cyclohexa-1,4-dien-1-yl]methyl]piperazine-1-carbaldehyde Openeye Name: 4-[[(3Z)-3-(3,6-dimethyl-1H-pyrazin-2-ylidene)-6-oxo-cyclohexa-1,4-dien-1-yl]methyl]piperazine-1-carbaldehyde CAS Name: 4-[[(3Z)-3-(3,6-dimethyl-1H-pyrazin-2-ylidene)-6-oxo-1-cyclohexa-1,4-dienyl]methyl]-1-piperazinecarboxaldehyde IUPAC Name: 4-[[(3Z)-3-(3,6-dimethyl-1H-pyrazin-2-ylidene)-6-oxocyclohexa-1,4-dien-1-yl]methyl]piperazine-1-carbaldehyde Traditional Name: 4-[[(3Z)-3-(3,6-dimethyl-1H-pyrazin-2-ylidene)-6-keto-cyclohexa-1,4-dien-1-yl]methyl]piperazine-1-carbaldehyde Formula: C18H22N4O2 MolecularWeight: 326.39288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C(=C2C=CC(=O)C(=C2)CN3CCN(CC3)C=O)N1)C

Isomeric SMILES

CC1=CN=C(/C(=C/2\C=CC(=O)C(=C2)CN3CCN(CC3)C=O)/N1)C

InChI

InChI=1S/C18H22N4O2/c1-13-10-19-14(2)18(20-13)15-3-4-17(24)16(9-15)11-21-5-7-22(12-23)8-6-21/h3-4,9-10,12,20H,5-8,11H2,1-2H3/b18-15-