N-(1,3-benzodioxol-5-ylmethyl)-N-[(7-fluoranyl-2-morpholin-4-yl-quinolin-3-yl)methyl]-2,5-dimethyl-pyrazole-3-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[(7-fluoranyl-2-morpholin-4-yl-quinolin-3-yl)methyl]-2,5-dimethyl-pyrazole-3-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[(7-fluoro-2-morpholino-3-quinolyl)methyl]-2,5-dimethyl-pyrazole-3-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[[7-fluoro-2-(4-morpholinyl)-3-quinolinyl]methyl]-2,5-dimethyl-3-pyrazolecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[(7-fluoro-2-morpholin-4-ylquinolin-3-yl)methyl]-2,5-dimethylpyrazole-3-carboxamide Traditional Name: N-[(7-fluoro-2-morpholino-3-quinolyl)methyl]-2,5-dimethyl-N-piperonyl-pyrazole-3-carboxamide Formula: C28H28FN5O4 MolecularWeight: 517.551423

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)C(=O)N(CC2=CC3=C(C=C2)OCO3)CC4=C(N=C5C=C(C=CC5=C4)F)N6CCOCC6)C

Isomeric SMILES

CC1=NN(C(=C1)C(=O)N(CC2=CC3=C(C=C2)OCO3)CC4=C(N=C5C=C(C=CC5=C4)F)N6CCOCC6)C

InChI

InChI=1S/C28H28FN5O4/c1-18-11-24(32(2)31-18)28(35)34(15-19-3-6-25-26(12-19)38-17-37-25)16-21-13-20-4-5-22(29)14-23(20)30-27(21)33-7-9-36-10-8-33/h3-6,11-14H,7-10,15-17H2,1-2H3