N-[6-[3-[4-(3-azanylpropylamino)butylamino]propylamino]-6-oxidanylidene-hexyl]-4-[10,15,20-tri(undecyl)-21,22-dihydroporphyrin-5-yl]benzamide

Systemtic Name: N-[6-[3-[4-(3-azanylpropylamino)butylamino]propylamino]-6-oxidanylidene-hexyl]-4-[10,15,20-tri(undecyl)-21,22-dihydroporphyrin-5-yl]benzamide Openeye Name: N-[6-[3-[4-(3-aminopropylamino)butylamino]propylamino]-6-oxo-hexyl]-4-[10,15,20-tri(undecyl)-21,22-dihydroporphyrin-5-yl]benzamide CAS Name: N-[6-[3-[4-(3-aminopropylamino)butylamino]propylamino]-6-oxohexyl]-4-[10,15,20-tri(undecyl)-21,22-dihydroporphyrin-5-yl]benzamide IUPAC Name: N-[6-[3-[4-(3-aminopropylamino)butylamino]propylamino]-6-oxohexyl]-4-[10,15,20-tri(undecyl)-21,22-dihydroporphyrin-5-yl]benzamide Traditional Name: N-[6-[3-[4-(3-aminopropylamino)butylamino]propylamino]-6-keto-hexyl]-4-[10,15,20-tri(undecyl)-21,22-dihydroporphin-5-yl]benzamide Formula: C76H119N9O2 MolecularWeight: 1190.81716

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC1=C2C=CC(=C(C3=CC=C(N3)C(=C4C=CC(=N4)C(=C5C=CC1=N5)CCCCCCCCCCC)CCCCCCCCCCC)C6=CC=C(C=C6)C(=O)NCCCCCC(=O)NCCCNCCCCNCCCN)N2

Isomeric SMILES

CCCCCCCCCCCC1=C2C=CC(=C(C3=CC=C(N3)C(=C4C=CC(=N4)C(=C5C=CC1=N5)CCCCCCCCCCC)CCCCCCCCCCC)C6=CC=C(C=C6)C(=O)NCCCCCC(=O)NCCCNCCCCNCCCN)N2

InChI

InChI=1S/C76H119N9O2/c1-4-7-10-13-16-19-22-25-29-38-63-66-46-48-68(82-66)64(39-30-26-23-20-17-14-11-8-5-2)70-50-52-72(84-70)75(73-53-51-71(85-73)65(69-49-47-67(63)83-69)40-31-27-24-21-18-15-12-9-6-3)61-42-44-62(45-43-61)76(87)81-59-33-28-32-41-74(86)80-60-37-58-79-56-35-34-55-78-57-36-54-77/h42-53,78-79,84-85H,4-41,54-60,77H2,1-3H3,(H,80,86)(H,81,87)