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

Systemtic Name: [2-(1,3-benzodioxol-5-yl)quinolin-4-yl]-(4-ethylpiperazin-1-yl)methanone Openeye Name: [2-(1,3-benzodioxol-5-yl)-4-quinolyl]-(4-ethylpiperazin-1-yl)methanone CAS Name: [2-(1,3-benzodioxol-5-yl)-4-quinolinyl]-(4-ethyl-1-piperazinyl)methanone IUPAC Name: [2-(1,3-benzodioxol-5-yl)quinolin-4-yl]-(4-ethylpiperazin-1-yl)methanone Traditional Name: [2-(1,3-benzodioxol-5-yl)-4-quinolyl]-(4-ethylpiperazino)methanone Formula: C23H23N3O3 MolecularWeight: 389.44702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCN1CCN(CC1)C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H23N3O3/c1-2-25-9-11-26(12-10-25)23(27)18-14-20(24-19-6-4-3-5-17(18)19)16-7-8-21-22(13-16)29-15-28-21/h3-8,13-14H,2,9-12,15H2,1H3