5-chloranyl-N-[4-[4-(phenylmethyl)piperazin-1-yl]phenyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide

Systemtic Name: 5-chloranyl-N-[4-[4-(phenylmethyl)piperazin-1-yl]phenyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide Openeye Name: N-[4-(4-benzylpiperazin-1-yl)phenyl]-5-chloro-2,3-dihydro-1,4-benzodioxine-7-carboxamide CAS Name: 5-chloro-N-[4-[4-(phenylmethyl)-1-piperazinyl]phenyl]-2,3-dihydro-1,4-benzodioxin-7-carboxamide IUPAC Name: N-[4-(4-benzylpiperazin-1-yl)phenyl]-5-chloro-2,3-dihydro-1,4-benzodioxine-7-carboxamide Traditional Name: N-[4-(4-benzylpiperazino)phenyl]-5-chloro-2,3-dihydro-1,4-benzodioxin-7-carboxamide Formula: C26H26ClN3O3 MolecularWeight: 463.95594

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)C4=CC5=C(C(=C4)Cl)OCCO5

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)C4=CC5=C(C(=C4)Cl)OCCO5

InChI

InChI=1S/C26H26ClN3O3/c27-23-16-20(17-24-25(23)33-15-14-32-24)26(31)28-21-6-8-22(9-7-21)30-12-10-29(11-13-30)18-19-4-2-1-3-5-19/h1-9,16-17H,10-15,18H2,(H,28,31)