1-[13,13-dimethyl-5-(4-methylphenyl)-22,24-dihydro-12H-porphyrin-2-yl]ethanone

Systemtic Name: 1-[13,13-dimethyl-5-(4-methylphenyl)-22,24-dihydro-12H-porphyrin-2-yl]ethanone Openeye Name: 1-[13,13-dimethyl-5-(p-tolyl)-22,24-dihydro-12H-porphyrin-2-yl]ethanone CAS Name: 1-[13,13-dimethyl-5-(4-methylphenyl)-22,24-dihydro-12H-porphyrin-2-yl]ethanone IUPAC Name: 1-[13,13-dimethyl-5-(4-methylphenyl)-22,24-dihydro-12H-porphyrin-2-yl]ethanone Traditional Name: 1-[13,13-dimethyl-5-(p-tolyl)-22,24-dihydro-12H-porphin-2-yl]ethanone Formula: C31H28N4O MolecularWeight: 472.58022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C3C=C(C(=N3)C=C4C=CC(=CC5=NC(=CC6=CC=C2N6)CC5(C)C)N4)C(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C3C=C(C(=N3)C=C4C=CC(=CC5=NC(=CC6=CC=C2N6)CC5(C)C)N4)C(=O)C

InChI

InChI=1S/C31H28N4O/c1-18-5-7-20(8-6-18)30-26-12-11-21(33-26)13-24-17-31(3,4)29(34-24)15-23-10-9-22(32-23)14-27-25(19(2)36)16-28(30)35-27/h5-16,32-33H,17H2,1-4H3