1-piperidin-1-yl-3-(10,15,20-triphenyl-23,24-dihydroporphyrin-5-yl)prop-2-en-1-one

Systemtic Name: 1-piperidin-1-yl-3-(10,15,20-triphenyl-23,24-dihydroporphyrin-5-yl)prop-2-en-1-one Openeye Name: 1-(1-piperidyl)-3-(10,15,20-triphenyl-23,24-dihydroporphyrin-5-yl)prop-2-en-1-one CAS Name: 1-(1-piperidinyl)-3-(10,15,20-triphenyl-23,24-dihydroporphyrin-5-yl)-2-propen-1-one IUPAC Name: 1-piperidin-1-yl-3-(10,15,20-triphenyl-23,24-dihydroporphyrin-5-yl)prop-2-en-1-one Traditional Name: 1-piperidino-3-(10,15,20-triphenyl-23,24-dihydroporphin-5-yl)prop-2-en-1-one Formula: C46H37N5O MolecularWeight: 675.81888

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C=CC2=C3C=CC(=N3)C(=C4C=CC(=C(C5=CC=C(N5)C(=C6C=CC2=N6)C7=CC=CC=C7)C8=CC=CC=C8)N4)C9=CC=CC=C9

Isomeric SMILES

C1CCN(CC1)C(=O)C=CC2=C3C=CC(=N3)C(=C4C=CC(=C(C5=CC=C(N5)C(=C6C=CC2=N6)C7=CC=CC=C7)C8=CC=CC=C8)N4)C9=CC=CC=C9

InChI

InChI=1S/C46H37N5O/c52-43(51-29-11-4-12-30-51)28-19-34-35-20-22-37(47-35)44(31-13-5-1-6-14-31)39-24-26-41(49-39)46(33-17-9-3-10-18-33)42-27-25-40(50-42)45(32-15-7-2-8-16-32)38-23-21-36(34)48-38/h1-3,5-10,13-28,49-50H,4,11-12,29-30H2