1-(5-bromanyl-8,8-dimethyl-23,24-dihydro-7H-porphyrin-2-yl)ethanone

Systemtic Name: 1-(5-bromanyl-8,8-dimethyl-23,24-dihydro-7H-porphyrin-2-yl)ethanone Openeye Name: 1-(5-bromo-8,8-dimethyl-23,24-dihydro-7H-porphyrin-2-yl)ethanone CAS Name: 1-(5-bromo-8,8-dimethyl-23,24-dihydro-7H-porphyrin-2-yl)ethanone IUPAC Name: 1-(5-bromo-8,8-dimethyl-23,24-dihydro-7H-porphyrin-2-yl)ethanone Traditional Name: 1-(5-bromo-8,8-dimethyl-23,24-dihydro-7H-porphin-2-yl)ethanone Formula: C24H21BrN4O MolecularWeight: 461.35374

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C3=NC(=CC4=CC=C(N4)C=C5C=CC(=CC1=N2)N5)C(C3)(C)C)Br

Isomeric SMILES

CC(=O)C1=CC2=C(C3=NC(=CC4=CC=C(N4)C=C5C=CC(=CC1=N2)N5)C(C3)(C)C)Br

InChI

InChI=1S/C24H21BrN4O/c1-13(30)18-11-20-23(25)21-12-24(2,3)22(29-21)10-17-7-5-15(27-17)8-14-4-6-16(26-14)9-19(18)28-20/h4-11,26-27H,12H2,1-3H3