N-[3-chloranyl-4-(4-ethanoylpiperazin-1-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

Systemtic Name: N-[3-chloranyl-4-(4-ethanoylpiperazin-1-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Openeye Name: N-[4-(4-acetylpiperazin-1-yl)-3-chloro-phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide CAS Name: N-[4-(4-acetyl-1-piperazinyl)-3-chlorophenyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide IUPAC Name: N-[4-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Traditional Name: N-[4-(4-acetylpiperazino)-3-chloro-phenyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide Formula: C21H22ClN3O4 MolecularWeight: 415.87008

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCCO4)Cl

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCCO4)Cl

InChI

InChI=1S/C21H22ClN3O4/c1-14(26)24-6-8-25(9-7-24)18-4-3-16(13-17(18)22)23-21(27)15-2-5-19-20(12-15)29-11-10-28-19/h2-5,12-13H,6-11H2,1H3,(H,23,27)