20-bromanyl-3,3-dimethyl-15-(4-methylphenyl)-22,23-dihydro-2H-porphyrin

Systemtic Name: 20-bromanyl-3,3-dimethyl-15-(4-methylphenyl)-22,23-dihydro-2H-porphyrin Openeye Name: 20-bromo-3,3-dimethyl-15-(p-tolyl)-22,23-dihydro-2H-porphyrin CAS Name: 20-bromo-3,3-dimethyl-15-(4-methylphenyl)-22,23-dihydro-2H-porphyrin IUPAC Name: 20-bromo-3,3-dimethyl-15-(4-methylphenyl)-22,23-dihydro-2H-porphyrin Traditional Name: 20-bromo-3,3-dimethyl-15-(p-tolyl)-22,23-dihydro-2H-porphine Formula: C29H25BrN4 MolecularWeight: 509.4396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C3C=CC(=N3)C(=C4CC(C(=N4)C=C5C=CC(=CC6=CC=C2N6)N5)(C)C)Br

Isomeric SMILES

CC1=CC=C(C=C1)C2=C3C=CC(=N3)C(=C4CC(C(=N4)C=C5C=CC(=CC6=CC=C2N6)N5)(C)C)Br

InChI

InChI=1S/C29H25BrN4/c1-17-4-6-18(7-5-17)27-22-11-10-20(32-22)14-19-8-9-21(31-19)15-26-29(2,3)16-25(34-26)28(30)24-13-12-23(27)33-24/h4-15,31-32H,16H2,1-3H3