copper 2-azanyl-3-phenyl-N-pyren-2-yl-propanimidate

Systemtic Name: copper 2-azanyl-3-phenyl-N-pyren-2-yl-propanimidate Openeye Name: copper 2-amino-3-phenyl-N-pyren-2-yl-propanimidate CAS Name: copper 2-amino-3-phenyl-N-(2-pyrenyl)propanimidate IUPAC Name: copper 2-amino-3-phenyl-N-pyren-2-ylpropanimidate Traditional Name: cupric 2-amino-3-phenyl-N-pyren-2-yl-propionimidate Formula: C50H38CuN4O2 MolecularWeight: 790.40832

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=NC2=CC3=C4C(=C2)C=CC5=C4C(=CC=C5)C=C3)[O-])N.C1=CC=C(C=C1)CC(C(=NC2=CC3=C4C(=C2)C=CC5=C4C(=CC=C5)C=C3)[O-])N.[Cu+2]

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=NC2=CC3=C4C(=C2)C=CC5=C4C(=CC=C5)C=C3)[O-])N.C1=CC=C(C=C1)CC(C(=NC2=CC3=C4C(=C2)C=CC5=C4C(=CC=C5)C=C3)[O-])N.[Cu+2]

InChI

InChI=1S/2C25H20N2O.Cu/c2*26-22(13-16-5-2-1-3-6-16)25(28)27-21-14-19-11-9-17-7-4-8-18-10-12-20(15-21)24(19)23(17)18;/h2*1-12,14-15,22H,13,26H2,(H,27,28);/q;;+2/p-2