N-[6-(cyclopentylcarbonylamino)pyridin-2-yl]-3-diphenylphosphanyl-benzamide; iron(2+)

Systemtic Name: N-[6-(cyclopentylcarbonylamino)pyridin-2-yl]-3-diphenylphosphanyl-benzamide; iron(2+) Openeye Name: ferrous N-[6-(cyclopentanecarbonylamino)-2-pyridyl]-3-diphenylphosphanyl-benzamide CAS Name: N-[6-[[cyclopentyl(oxo)methyl]amino]-2-pyridinyl]-3-diphenylphosphinobenzamide; iron(2+) IUPAC Name: N-[6-(cyclopentanecarbonylamino)pyridin-2-yl]-3-diphenylphosphanylbenzamide; iron(2+) Traditional Name: ferrous N-[6-(cyclopentanecarbonylamino)-2-pyridyl]-3-diphenylphosphino-benzamide Formula: C60H46FeN6O4P2+2 MolecularWeight: 1032.837562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC(=C3)C(=O)NC4=NC(=CC=C4)NC(=O)[C]5[CH][CH][CH][CH]5.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC(=C3)C(=O)NC4=NC(=CC=C4)NC(=O)[C]5[CH][CH][CH][CH]5.[Fe+2]

Isomeric SMILES

C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC(=C3)C(=O)NC4=NC(=CC=C4)NC(=O)[C]5[CH][CH][CH][CH]5.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC(=C3)C(=O)NC4=NC(=CC=C4)NC(=O)[C]5[CH][CH][CH][CH]5.[Fe+2]

InChI

InChI=1S/2C30H23N3O2P.Fe/c2*34-29(22-11-7-8-12-22)32-27-19-10-20-28(31-27)33-30(35)23-13-9-18-26(21-23)36(24-14-3-1-4-15-24)25-16-5-2-6-17-25;/h2*1-21H,(H2,31,32,33,34,35);/q;;+2