4-[(E)-indol-3-ylidenemethyl]-5-[(1R,2R)-2-phenylcyclopropyl]-1,2-dihydropyrazol-3-one

Systemtic Name: 4-[(E)-indol-3-ylidenemethyl]-5-[(1R,2R)-2-phenylcyclopropyl]-1,2-dihydropyrazol-3-one Openeye Name: 4-[(E)-indol-3-ylidenemethyl]-5-[(1R,2R)-2-phenylcyclopropyl]-1,2-dihydropyrazol-3-one CAS Name: 4-[(E)-3-indolylidenemethyl]-5-[(1R,2R)-2-phenylcyclopropyl]-1,2-dihydropyrazol-3-one IUPAC Name: 4-[(E)-indol-3-ylidenemethyl]-5-[(1R,2R)-2-phenylcyclopropyl]-1,2-dihydropyrazol-3-one Traditional Name: 4-[(E)-indol-3-ylidenemethyl]-5-[(1R,2R)-2-phenylcyclopropyl]-3-pyrazolin-3-one Formula: C21H17N3O MolecularWeight: 327.37918

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C1C2=C(C(=O)NN2)C=C3C=NC4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

C1[C@H]([C@@H]1C2=C(C(=O)NN2)/C=C\3/C=NC4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C21H17N3O/c25-21-18(10-14-12-22-19-9-5-4-8-15(14)19)20(23-24-21)17-11-16(17)13-6-2-1-3-7-13/h1-10,12,16-17H,11H2,(H2,23,24,25)/b14-10-/t16-,17+/m0/s1