N-(3-imidazol-1-ylpropyl)-3-(5,10,15,20-tetraphenyl-21,22-dihydroporphyrin-2-yl)prop-2-enamide

Systemtic Name: N-(3-imidazol-1-ylpropyl)-3-(5,10,15,20-tetraphenyl-21,22-dihydroporphyrin-2-yl)prop-2-enamide Openeye Name: N-(3-imidazol-1-ylpropyl)-3-(5,10,15,20-tetraphenyl-21,22-dihydroporphyrin-2-yl)prop-2-enamide CAS Name: N-[3-(1-imidazolyl)propyl]-3-(5,10,15,20-tetraphenyl-21,22-dihydroporphyrin-2-yl)-2-propenamide IUPAC Name: N-(3-imidazol-1-ylpropyl)-3-(5,10,15,20-tetraphenyl-21,22-dihydroporphyrin-2-yl)prop-2-enamide Traditional Name: N-(3-imidazol-1-ylpropyl)-3-(5,10,15,20-tetraphenyl-21,22-dihydroporphin-2-yl)acrylamide Formula: C53H41N7O MolecularWeight: 791.93894

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC(=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=CC=C7)C8=CC=CC=C8)C=CC(=O)NCCCN9C=CN=C9)C1=CC=CC=C1)N3

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC(=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=CC=C7)C8=CC=CC=C8)C=CC(=O)NCCCN9C=CN=C9)C1=CC=CC=C1)N3

InChI

InChI=1S/C53H41N7O/c61-48(55-30-13-32-60-33-31-54-35-60)29-22-40-34-47-51(38-18-9-3-10-19-38)45-26-25-43(57-45)49(36-14-5-1-6-15-36)41-23-24-42(56-41)50(37-16-7-2-8-17-37)44-27-28-46(58-44)52(53(40)59-47)39-20-11-4-12-21-39/h1-12,14-29,31,33-35,57,59H,13,30,32H2,(H,55,61)