4-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxidanylidene-butanoyl]-N-phenyl-piperazine-1-carboxamide

Systemtic Name: 4-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxidanylidene-butanoyl]-N-phenyl-piperazine-1-carboxamide Openeye Name: 4-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxo-butanoyl]-N-phenyl-piperazine-1-carboxamide CAS Name: 4-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,4-dioxobutyl]-N-phenyl-1-piperazinecarboxamide IUPAC Name: 4-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxobutanoyl]-N-phenylpiperazine-1-carboxamide Traditional Name: 4-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-keto-butanoyl]-N-phenyl-piperazine-1-carboxamide Formula: C24H27N3O5 MolecularWeight: 437.48828

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C(=O)CCC(=O)N3CCN(CC3)C(=O)NC4=CC=CC=C4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C(=O)CCC(=O)N3CCN(CC3)C(=O)NC4=CC=CC=C4)OC1

InChI

InChI=1S/C24H27N3O5/c28-20(18-7-9-21-22(17-18)32-16-4-15-31-21)8-10-23(29)26-11-13-27(14-12-26)24(30)25-19-5-2-1-3-6-19/h1-3,5-7,9,17H,4,8,10-16H2,(H,25,30)