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

Systemtic Name: N-[3-chloranyl-4-(4-propanoylpiperazin-1-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Openeye Name: N-[3-chloro-4-(4-propanoylpiperazin-1-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide CAS Name: N-[3-chloro-4-[4-(1-oxopropyl)-1-piperazinyl]phenyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide IUPAC Name: N-[3-chloro-4-(4-propanoylpiperazin-1-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Traditional Name: N-[3-chloro-4-(4-propionylpiperazino)phenyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide Formula: C22H24ClN3O4 MolecularWeight: 429.89666

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24ClN3O4/c1-2-21(27)26-9-7-25(8-10-26)18-5-4-16(14-17(18)23)24-22(28)15-3-6-19-20(13-15)30-12-11-29-19/h3-6,13-14H,2,7-12H2,1H3,(H,24,28)