1-(23H-porphyrin-21-yl)ethanone

Systemtic Name: 1-(23H-porphyrin-21-yl)ethanone Openeye Name: 1-(23H-porphyrin-21-yl)ethanone CAS Name: 1-(23H-porphyrin-21-yl)ethanone IUPAC Name: 1-(23H-porphyrin-21-yl)ethanone Traditional Name: 1-(23H-porphin-21-yl)ethanone Formula: C22H16N4O MolecularWeight: 352.38864

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C2=CC=C1C=C3C=CC(=N3)C=C4C=CC(=CC5=NC(=C2)C=C5)N4

Isomeric SMILES

CC(=O)N1C2=CC=C1C=C3C=CC(=N3)C=C4C=CC(=CC5=NC(=C2)C=C5)N4

InChI

InChI=1S/C22H16N4O/c1-14(27)26-21-8-9-22(26)13-20-7-5-18(25-20)11-16-3-2-15(23-16)10-17-4-6-19(12-21)24-17/h2-13,23H,1H3