copper(1+); pentane-2,4-diol; 4-[pyrrol-1-id-2-yl(pyrrol-2-ylidene)methyl]benzenecarbonitrile

Systemtic Name: copper(1+); pentane-2,4-diol; 4-[pyrrol-1-id-2-yl(pyrrol-2-ylidene)methyl]benzenecarbonitrile Openeye Name: cuprous; pentane-2,4-diol; 4-[pyrrol-1-id-2-yl(pyrrol-2-ylidene)methyl]benzonitrile CAS Name: copper(1+); pentane-2,4-diol; 4-[2-pyrrol-1-idyl(2-pyrrolylidene)methyl]benzonitrile IUPAC Name: copper(1+); pentane-2,4-diol; 4-[pyrrol-1-id-2-yl(pyrrol-2-ylidene)methyl]benzonitrile Traditional Name: cuprous; pentane-2,4-diol; 4-[pyrrol-1-id-2-yl(pyrrol-2-ylidene)methyl]benzonitrile Formula: C21H22CuN3O2 MolecularWeight: 411.96428

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(C)O)O.C1=CC(=C(C2=CC=C(C=C2)C#N)C3=CC=C[N-]3)N=C1.[Cu+]

Isomeric SMILES

CC(CC(C)O)O.C1=CC(=C(C2=CC=C(C=C2)C#N)C3=CC=C[N-]3)N=C1.[Cu+]

InChI

InChI=1S/C16H10N3.C5H12O2.Cu/c17-11-12-5-7-13(8-6-12)16(14-3-1-9-18-14)15-4-2-10-19-15;1-4(6)3-5(2)7;/h1-10H;4-7H,3H2,1-2H3;/q-1;;+1