(E)-3-[15-(3-oxidanylidene-3-piperidin-1-yl-prop-1-enyl)-10,20-diphenyl-21,22-dihydroporphyrin-5-yl]-1-piperidin-1-yl-prop-2-en-1-one

Systemtic Name: (E)-3-[15-(3-oxidanylidene-3-piperidin-1-yl-prop-1-enyl)-10,20-diphenyl-21,22-dihydroporphyrin-5-yl]-1-piperidin-1-yl-prop-2-en-1-one Openeye Name: (E)-3-[15-[3-oxo-3-(1-piperidyl)prop-1-enyl]-10,20-diphenyl-21,22-dihydroporphyrin-5-yl]-1-(1-piperidyl)prop-2-en-1-one CAS Name: (E)-3-[15-[3-oxo-3-(1-piperidinyl)prop-1-enyl]-10,20-diphenyl-21,22-dihydroporphyrin-5-yl]-1-(1-piperidinyl)-2-propen-1-one IUPAC Name: (E)-3-[15-(3-oxo-3-piperidin-1-ylprop-1-enyl)-10,20-diphenyl-21,22-dihydroporphyrin-5-yl]-1-piperidin-1-ylprop-2-en-1-one Traditional Name: (E)-3-[15-(3-keto-3-piperidino-prop-1-enyl)-10,20-diphenyl-21,22-dihydroporphin-5-yl]-1-piperidino-prop-2-en-1-one Formula: C48H44N6O2 MolecularWeight: 736.90196

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C=CC2=C3C=CC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2N6)C7=CC=CC=C7)C=C5)C=CC(=O)N8CCCCC8)C=C4)C9=CC=CC=C9)N3

Isomeric SMILES

C1CCN(CC1)C(=O)/C=C/C2=C3C=CC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2N6)C7=CC=CC=C7)C=C5)C=CC(=O)N8CCCCC8)C=C4)C9=CC=CC=C9)N3

InChI

InChI=1S/C48H44N6O2/c55-45(53-29-9-3-10-30-53)27-17-35-37-19-23-41(49-37)47(33-13-5-1-6-14-33)42-24-20-38(50-42)36(18-28-46(56)54-31-11-4-12-32-54)40-22-26-44(52-40)48(34-15-7-2-8-16-34)43-25-21-39(35)51-43/h1-2,5-8,13-28,49,51H,3-4,9-12,29-32H2/b27-17+,28-18?,37-35?,38-36?,39-35?,40-36?,47-41?,47-42?,48-43?,48-44?