5-(1,2-dihydropyridin-4-yl)-10,15,20-tri(piperidin-4-yl)-21,22-dihydroporphyrin

Systemtic Name: 5-(1,2-dihydropyridin-4-yl)-10,15,20-tri(piperidin-4-yl)-21,22-dihydroporphyrin Openeye Name: 5-(1,2-dihydropyridin-4-yl)-10,15,20-tris(4-piperidyl)-21,22-dihydroporphyrin CAS Name: 5-(1,2-dihydropyridin-4-yl)-10,15,20-tris(4-piperidinyl)-21,22-dihydroporphyrin IUPAC Name: 5-(1,2-dihydropyridin-4-yl)-10,15,20-tri(piperidin-4-yl)-21,22-dihydroporphyrin Traditional Name: 5-(1,2-dihydropyridin-4-yl)-10,15,20-tris(4-piperidyl)-21,22-dihydroporphine Formula: C40H46N8 MolecularWeight: 638.84684

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7CCNCC7)C8CCNCC8)C9=CCNC=C9)N3

Isomeric SMILES

C1CNCCC1C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7CCNCC7)C8CCNCC8)C9=CCNC=C9)N3

InChI

InChI=1S/C40H46N8/c1-2-30-38(26-11-19-42-20-12-26)32-5-6-34(47-32)40(28-15-23-44-24-16-28)36-8-7-35(48-36)39(27-13-21-43-22-14-27)33-4-3-31(46-33)37(29(1)45-30)25-9-17-41-18-10-25/h1-10,17,26-28,41-46H,11-16,18-24H2