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

Systemtic Name: [2-(1,3-benzodioxol-5-yl)quinolin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Openeye Name: [2-(1,3-benzodioxol-5-yl)-4-quinolyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone CAS Name: [2-(1,3-benzodioxol-5-yl)-4-quinolinyl]-[4-(2-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: [2-(1,3-benzodioxol-5-yl)quinolin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Traditional Name: [2-(1,3-benzodioxol-5-yl)-4-quinolyl]-[4-(2-pyrimidyl)piperazino]methanone Formula: C25H21N5O3 MolecularWeight: 439.46594

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)C3=CC(=NC4=CC=CC=C43)C5=CC6=C(C=C5)OCO6

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)C3=CC(=NC4=CC=CC=C43)C5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C25H21N5O3/c31-24(29-10-12-30(13-11-29)25-26-8-3-9-27-25)19-15-21(28-20-5-2-1-4-18(19)20)17-6-7-22-23(14-17)33-16-32-22/h1-9,14-15H,10-13,16H2