N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxidanylidene-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxidanylidene-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide Traditional Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-keto-4-(3-phenyl-2-pyrazolin-1-yl)butyramide Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)CCC(=O)N3CCC(=N3)C4=CC=CC=C4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)CCC(=O)N3CCC(=N3)C4=CC=CC=C4)OC1

InChI

InChI=1S/C22H23N3O4/c26-21(23-17-7-8-19-20(15-17)29-14-4-13-28-19)9-10-22(27)25-12-11-18(24-25)16-5-2-1-3-6-16/h1-3,5-8,15H,4,9-14H2,(H,23,26)