5,15-bis[4-(2-piperidin-1-ylethoxy)phenyl]-21,22-dihydroporphyrin

Systemtic Name: 5,15-bis[4-(2-piperidin-1-ylethoxy)phenyl]-21,22-dihydroporphyrin Openeye Name: 5,15-bis[4-[2-(1-piperidyl)ethoxy]phenyl]-21,22-dihydroporphyrin CAS Name: 5,15-bis[4-[2-(1-piperidinyl)ethoxy]phenyl]-21,22-dihydroporphyrin IUPAC Name: 5,15-bis[4-(2-piperidin-1-ylethoxy)phenyl]-21,22-dihydroporphyrin Traditional Name: 5,15-bis[4-(2-piperidinoethoxy)phenyl]-21,22-dihydroporphine Formula: C46H48N6O2 MolecularWeight: 716.91232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCOC2=CC=C(C=C2)C3=C4C=CC(=CC5=NC(=C(C6=NC(=CC7=CC=C3N7)C=C6)C8=CC=C(C=C8)OCCN9CCCCC9)C=C5)N4

Isomeric SMILES

C1CCN(CC1)CCOC2=CC=C(C=C2)C3=C4C=CC(=CC5=NC(=C(C6=NC(=CC7=CC=C3N7)C=C6)C8=CC=C(C=C8)OCCN9CCCCC9)C=C5)N4

InChI

InChI=1S/C46H48N6O2/c1-3-23-51(24-4-1)27-29-53-39-15-7-33(8-16-39)45-41-19-11-35(47-41)31-37-13-21-43(49-37)46(44-22-14-38(50-44)32-36-12-20-42(45)48-36)34-9-17-40(18-10-34)54-30-28-52-25-5-2-6-26-52/h7-22,31-32,47-48H,1-6,23-30H2