4-[[5-(azepan-1-yl)furan-2-yl]methylidene]-1-phenyl-pyrazolidine-3,5-dione

Systemtic Name: 4-[[5-(azepan-1-yl)furan-2-yl]methylidene]-1-phenyl-pyrazolidine-3,5-dione Openeye Name: 4-[[5-(azepan-1-yl)-2-furyl]methylene]-1-phenyl-pyrazolidine-3,5-dione CAS Name: 4-[[5-(1-azepanyl)-2-furanyl]methylidene]-1-phenylpyrazolidine-3,5-dione IUPAC Name: 4-[[5-(azepan-1-yl)furan-2-yl]methylidene]-1-phenylpyrazolidine-3,5-dione Traditional Name: 4-[[5-(azepan-1-yl)-2-furyl]methylene]-1-phenyl-pyrazolidine-3,5-quinone Formula: C20H21N3O3 MolecularWeight: 351.39904

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC=C(O2)C=C3C(=O)NN(C3=O)C4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)C2=CC=C(O2)C=C3C(=O)NN(C3=O)C4=CC=CC=C4

InChI

InChI=1S/C20H21N3O3/c24-19-17(20(25)23(21-19)15-8-4-3-5-9-15)14-16-10-11-18(26-16)22-12-6-1-2-7-13-22/h3-5,8-11,14H,1-2,6-7,12-13H2,(H,21,24)