[2-(1,3-benzodioxol-5-yl)quinolin-4-yl]-[4-(phenylmethyl)piperazin-1-yl]methanone

Systemtic Name: [2-(1,3-benzodioxol-5-yl)quinolin-4-yl]-[4-(phenylmethyl)piperazin-1-yl]methanone Openeye Name: [2-(1,3-benzodioxol-5-yl)-4-quinolyl]-(4-benzylpiperazin-1-yl)methanone CAS Name: [2-(1,3-benzodioxol-5-yl)-4-quinolinyl]-[4-(phenylmethyl)-1-piperazinyl]methanone IUPAC Name: [2-(1,3-benzodioxol-5-yl)quinolin-4-yl]-(4-benzylpiperazin-1-yl)methanone Traditional Name: [2-(1,3-benzodioxol-5-yl)-4-quinolyl]-(4-benzylpiperazino)methanone Formula: C28H25N3O3 MolecularWeight: 451.5164

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=CC(=NC4=CC=CC=C43)C5=CC6=C(C=C5)OCO6

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=CC(=NC4=CC=CC=C43)C5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C28H25N3O3/c32-28(31-14-12-30(13-15-31)18-20-6-2-1-3-7-20)23-17-25(29-24-9-5-4-8-22(23)24)21-10-11-26-27(16-21)34-19-33-26/h1-11,16-17H,12-15,18-19H2