N-[3-(10,15,20-tripyridin-4-yl-21,22-dihydroporphyrin-5-yl)phenyl]ethanamide

Systemtic Name: N-[3-(10,15,20-tripyridin-4-yl-21,22-dihydroporphyrin-5-yl)phenyl]ethanamide Openeye Name: N-[3-[10,15,20-tris(4-pyridyl)-21,22-dihydroporphyrin-5-yl]phenyl]acetamide CAS Name: N-[3-(10,15,20-tripyridin-4-yl-21,22-dihydroporphyrin-5-yl)phenyl]acetamide IUPAC Name: N-[3-(10,15,20-tripyridin-4-yl-21,22-dihydroporphyrin-5-yl)phenyl]acetamide Traditional Name: N-[3-[10,15,20-tris(4-pyridyl)-21,22-dihydroporphin-5-yl]phenyl]acetamide Formula: C43H30N8O MolecularWeight: 674.7513

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC(=C1)C2=C3C=CC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2N6)C7=CC=NC=C7)C=C5)C8=CC=NC=C8)C=C4)C9=CC=NC=C9)N3

Isomeric SMILES

CC(=O)NC1=CC=CC(=C1)C2=C3C=CC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2N6)C7=CC=NC=C7)C=C5)C8=CC=NC=C8)C=C4)C9=CC=NC=C9)N3

InChI

InChI=1S/C43H30N8O/c1-26(52)47-31-4-2-3-30(25-31)43-38-11-9-36(50-38)41(28-15-21-45-22-16-28)34-7-5-32(48-34)40(27-13-19-44-20-14-27)33-6-8-35(49-33)42(29-17-23-46-24-18-29)37-10-12-39(43)51-37/h2-25,50-51H,1H3,(H,47,52)