N-[4-[4-(phenylmethyl)piperazin-1-yl]phenyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[4-[4-(phenylmethyl)piperazin-1-yl]phenyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[4-(4-benzylpiperazin-1-yl)phenyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[4-[4-(phenylmethyl)-1-piperazinyl]phenyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[4-(4-benzylpiperazin-1-yl)phenyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[4-(4-benzylpiperazino)phenyl]-piperonylamide Formula: C25H25N3O3 MolecularWeight: 415.4843

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H25N3O3/c29-25(20-6-11-23-24(16-20)31-18-30-23)26-21-7-9-22(10-8-21)28-14-12-27(13-15-28)17-19-4-2-1-3-5-19/h1-11,16H,12-15,17-18H2,(H,26,29)