20-bromanyl-17,17-dimethyl-N-(phenylmethyl)-5-(2,4,6-trimethylphenyl)-22,23-dihydro-18H-porphyrin-2-carboxamide

Systemtic Name: 20-bromanyl-17,17-dimethyl-N-(phenylmethyl)-5-(2,4,6-trimethylphenyl)-22,23-dihydro-18H-porphyrin-2-carboxamide Openeye Name: N-benzyl-20-bromo-17,17-dimethyl-5-(2,4,6-trimethylphenyl)-22,23-dihydro-18H-porphyrin-2-carboxamide CAS Name: 20-bromo-17,17-dimethyl-N-(phenylmethyl)-5-(2,4,6-trimethylphenyl)-22,23-dihydro-18H-porphyrin-2-carboxamide IUPAC Name: N-benzyl-20-bromo-17,17-dimethyl-5-(2,4,6-trimethylphenyl)-22,23-dihydro-18H-porphyrin-2-carboxamide Traditional Name: N-benzyl-20-bromo-5-mesityl-17,17-dimethyl-22,23-dihydro-18H-porphine-2-carboxamide Formula: C39H36BrN5O MolecularWeight: 670.64004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C2=C3C=C(C(=N3)C(=C4CC(C(=N4)C=C5C=CC(=CC6=CC=C2N6)N5)(C)C)Br)C(=O)NCC7=CC=CC=C7)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C2=C3C=C(C(=N3)C(=C4CC(C(=N4)C=C5C=CC(=CC6=CC=C2N6)N5)(C)C)Br)C(=O)NCC7=CC=CC=C7)C

InChI

InChI=1S/C39H36BrN5O/c1-22-15-23(2)34(24(3)16-22)35-30-14-13-27(43-30)17-26-11-12-28(42-26)18-33-39(4,5)20-32(44-33)36(40)37-29(19-31(35)45-37)38(46)41-21-25-9-7-6-8-10-25/h6-19,42-43H,20-21H2,1-5H3,(H,41,46)