20-bromanyl-3,3-dimethyl-10-(4-methylphenyl)-22,23-dihydro-2H-porphyrin

Systemtic Name: 20-bromanyl-3,3-dimethyl-10-(4-methylphenyl)-22,23-dihydro-2H-porphyrin Openeye Name: 20-bromo-3,3-dimethyl-10-(p-tolyl)-22,23-dihydro-2H-porphyrin CAS Name: 20-bromo-3,3-dimethyl-10-(4-methylphenyl)-22,23-dihydro-2H-porphyrin IUPAC Name: 20-bromo-3,3-dimethyl-10-(4-methylphenyl)-22,23-dihydro-2H-porphyrin Traditional Name: 20-bromo-3,3-dimethyl-10-(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(=CC4=NC(=C(C5=NC(=CC6=CC=C2N6)C(C5)(C)C)Br)C=C4)N3

Isomeric SMILES

CC1=CC=C(C=C1)C2=C3C=CC(=CC4=NC(=C(C5=NC(=CC6=CC=C2N6)C(C5)(C)C)Br)C=C4)N3

InChI

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