3,3-dimethyl-15-pentyl-22,24-dihydro-2H-porphyrin

Systemtic Name: 3,3-dimethyl-15-pentyl-22,24-dihydro-2H-porphyrin Openeye Name: 3,3-dimethyl-15-pentyl-22,24-dihydro-2H-porphyrin CAS Name: 3,3-dimethyl-15-pentyl-22,24-dihydro-2H-porphyrin IUPAC Name: 3,3-dimethyl-15-pentyl-22,24-dihydro-2H-porphyrin Traditional Name: 15-amyl-3,3-dimethyl-22,24-dihydro-2H-porphine Formula: C27H30N4 MolecularWeight: 410.5539

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C2C=CC(=N2)C=C3C=CC(=CC4=NC(=CC5=CC=C1N5)CC4(C)C)N3

Isomeric SMILES

CCCCCC1=C2C=CC(=N2)C=C3C=CC(=CC4=NC(=CC5=CC=C1N5)CC4(C)C)N3

InChI

InChI=1S/C27H30N4/c1-4-5-6-7-23-24-12-10-19(29-24)14-18-8-9-21(28-18)16-26-27(2,3)17-22(31-26)15-20-11-13-25(23)30-20/h8-16,28,30H,4-7,17H2,1-3H3