6-[[3-(aziridin-1-yl)propylamino]methylidene]cyclohexa-2,4-dien-1-one; nickel(2+)

Systemtic Name: 6-[[3-(aziridin-1-yl)propylamino]methylidene]cyclohexa-2,4-dien-1-one; nickel(2+) Openeye Name: nickelous 6-[[3-(aziridin-1-yl)propylamino]methylene]cyclohexa-2,4-dien-1-one CAS Name: 6-[[3-(1-aziridinyl)propylamino]methylidene]-1-cyclohexa-2,4-dienone; nickel(2+) IUPAC Name: 6-[[3-(aziridin-1-yl)propylamino]methylidene]cyclohexa-2,4-dien-1-one; nickel(2+) Traditional Name: nickelous 6-[(3-ethyleniminopropylamino)methylene]cyclohexa-2,4-dien-1-one Formula: C24H32N4NiO2+2 MolecularWeight: 467.22988

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Descriptors Computed from Structure

Canonical SMILES:

C1CN1CCCNC=C2C=CC=CC2=O.C1CN1CCCNC=C2C=CC=CC2=O.[Ni+2]

Isomeric SMILES

C1CN1CCCNC=C2C=CC=CC2=O.C1CN1CCCNC=C2C=CC=CC2=O.[Ni+2]

InChI

InChI=1S/2C12H16N2O.Ni/c2*15-12-5-2-1-4-11(12)10-13-6-3-7-14-8-9-14;/h2*1-2,4-5,10,13H,3,6-9H2;/q;;+2