5,10,15,20-tetrakis(1-methylpyrazol-4-yl)-21,22-dihydroporphyrin

Systemtic Name: 5,10,15,20-tetrakis(1-methylpyrazol-4-yl)-21,22-dihydroporphyrin Openeye Name: 5,10,15,20-tetrakis(1-methylpyrazol-4-yl)-21,22-dihydroporphyrin CAS Name: 5,10,15,20-tetrakis(1-methyl-4-pyrazolyl)-21,22-dihydroporphyrin IUPAC Name: 5,10,15,20-tetrakis(1-methylpyrazol-4-yl)-21,22-dihydroporphyrin Traditional Name: 5,10,15,20-tetrakis(1-methylpyrazol-4-yl)-21,22-dihydroporphine Formula: C36H30N12 MolecularWeight: 630.7038

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CN(N=C7)C)C8=CN(N=C8)C)C9=CN(N=C9)C)N3

Isomeric SMILES

CN1C=C(C=N1)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CN(N=C7)C)C8=CN(N=C8)C)C9=CN(N=C9)C)N3

InChI

InChI=1S/C36H30N12/c1-45-17-21(13-37-45)33-25-5-7-27(41-25)34(22-14-38-46(2)18-22)29-9-11-31(43-29)36(24-16-40-48(4)20-24)32-12-10-30(44-32)35(23-15-39-47(3)19-23)28-8-6-26(33)42-28/h5-20,41-42H,1-4H3