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

Systemtic Name: N-[3-chloranyl-2-(4-propanoylpiperazin-1-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Openeye Name: N-[3-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide CAS Name: N-[3-chloro-2-[4-(1-oxopropyl)-1-piperazinyl]phenyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide IUPAC Name: N-[3-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Traditional Name: N-[3-chloro-2-(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=CC=C2Cl)NC(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CCC(=O)N1CCN(CC1)C2=C(C=CC=C2Cl)NC(=O)C3=CC4=C(C=C3)OCCO4

InChI

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