copper 2-azanyl-3-phenyl-N-(pyren-1-ylmethyl)propanimidate

Systemtic Name: copper 2-azanyl-3-phenyl-N-(pyren-1-ylmethyl)propanimidate Openeye Name: copper 2-amino-3-phenyl-N-(pyren-1-ylmethyl)propanimidate CAS Name: copper 2-amino-3-phenyl-N-(1-pyrenylmethyl)propanimidate IUPAC Name: copper 2-amino-3-phenyl-N-(pyren-1-ylmethyl)propanimidate Traditional Name: cupric 2-amino-3-phenyl-N-(pyren-1-ylmethyl)propionimidate Formula: C52H42CuN4O2 MolecularWeight: 818.46148

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=NCC2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2)[O-])N.C1=CC=C(C=C1)CC(C(=NCC2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2)[O-])N.[Cu+2]

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=NCC2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2)[O-])N.C1=CC=C(C=C1)CC(C(=NCC2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2)[O-])N.[Cu+2]

InChI

InChI=1S/2C26H22N2O.Cu/c2*27-23(15-17-5-2-1-3-6-17)26(29)28-16-21-12-11-20-10-9-18-7-4-8-19-13-14-22(21)25(20)24(18)19;/h2*1-14,23H,15-16,27H2,(H,28,29);/q;;+2/p-2