2-[17,17-dimethyl-5-(2,4,6-trimethylphenyl)-22,23-dihydro-18H-porphyrin-2-yl]-2-oxidanylidene-N-propyl-ethanamide

Systemtic Name: 2-[17,17-dimethyl-5-(2,4,6-trimethylphenyl)-22,23-dihydro-18H-porphyrin-2-yl]-2-oxidanylidene-N-propyl-ethanamide Openeye Name: 2-[17,17-dimethyl-5-(2,4,6-trimethylphenyl)-22,23-dihydro-18H-porphyrin-2-yl]-2-oxo-N-propyl-acetamide CAS Name: 2-[17,17-dimethyl-5-(2,4,6-trimethylphenyl)-22,23-dihydro-18H-porphyrin-2-yl]-2-oxo-N-propylacetamide IUPAC Name: 2-[17,17-dimethyl-5-(2,4,6-trimethylphenyl)-22,23-dihydro-18H-porphyrin-2-yl]-2-oxo-N-propylacetamide Traditional Name: 2-keto-2-(5-mesityl-17,17-dimethyl-22,23-dihydro-18H-porphin-2-yl)-N-propyl-acetamide Formula: C36H37N5O2 MolecularWeight: 571.71128

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(=O)C1=CC2=C(C3=CC=C(N3)C=C4C=CC(=CC5=NC(=CC1=N2)CC5(C)C)N4)C6=C(C=C(C=C6C)C)C

Isomeric SMILES

CCCNC(=O)C(=O)C1=CC2=C(C3=CC=C(N3)C=C4C=CC(=CC5=NC(=CC1=N2)CC5(C)C)N4)C6=C(C=C(C=C6C)C)C

InChI

InChI=1S/C36H37N5O2/c1-7-12-37-35(43)34(42)27-18-30-33(32-21(3)13-20(2)14-22(32)4)28-11-10-24(39-28)15-23-8-9-25(38-23)17-31-36(5,6)19-26(40-31)16-29(27)41-30/h8-11,13-18,38-39H,7,12,19H2,1-6H3,(H,37,43)