[2-(1,3-benzodioxol-5-yl)-6-methyl-quinolin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

Systemtic Name: [2-(1,3-benzodioxol-5-yl)-6-methyl-quinolin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Openeye Name: [2-(1,3-benzodioxol-5-yl)-6-methyl-4-quinolyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone CAS Name: [2-(1,3-benzodioxol-5-yl)-6-methyl-4-quinolinyl]-[4-(2-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: [2-(1,3-benzodioxol-5-yl)-6-methylquinolin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Traditional Name: [2-(1,3-benzodioxol-5-yl)-6-methyl-4-quinolyl]-[4-(2-pyrimidyl)piperazino]methanone Formula: C26H23N5O3 MolecularWeight: 453.49252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C=C2C(=O)N3CCN(CC3)C4=NC=CC=N4)C5=CC6=C(C=C5)OCO6

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C=C2C(=O)N3CCN(CC3)C4=NC=CC=N4)C5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C26H23N5O3/c1-17-3-5-21-19(13-17)20(15-22(29-21)18-4-6-23-24(14-18)34-16-33-23)25(32)30-9-11-31(12-10-30)26-27-7-2-8-28-26/h2-8,13-15H,9-12,16H2,1H3