2-(3-carbazol-9-yl-2-oxidanyl-propyl)-4-thiophen-2-yl-phthalazin-1-one

Systemtic Name: 2-(3-carbazol-9-yl-2-oxidanyl-propyl)-4-thiophen-2-yl-phthalazin-1-one Openeye Name: 2-(3-carbazol-9-yl-2-hydroxy-propyl)-4-(2-thienyl)phthalazin-1-one CAS Name: 2-[3-(9-carbazolyl)-2-hydroxypropyl]-4-thiophen-2-yl-1-phthalazinone IUPAC Name: 2-(3-carbazol-9-yl-2-hydroxypropyl)-4-thiophen-2-ylphthalazin-1-one Traditional Name: 2-(3-carbazol-9-yl-2-hydroxy-propyl)-4-(2-thienyl)phthalazin-1-one Formula: C27H21N3O2S MolecularWeight: 451.53954

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN(C2=O)CC(CN3C4=CC=CC=C4C5=CC=CC=C53)O)C6=CC=CS6

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)CC(CN3C4=CC=CC=C4C5=CC=CC=C53)O)C6=CC=CS6

InChI

InChI=1S/C27H21N3O2S/c31-18(16-29-23-12-5-3-8-19(23)20-9-4-6-13-24(20)29)17-30-27(32)22-11-2-1-10-21(22)26(28-30)25-14-7-15-33-25/h1-15,18,31H,16-17H2