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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[(7-fluoranyl-2-morpholin-4-yl-quinolin-3-yl)methyl]-4-pyrazol-1-yl-benzamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[(7-fluoro-2-morpholino-3-quinolyl)methyl]-4-pyrazol-1-yl-benzamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[[7-fluoro-2-(4-morpholinyl)-3-quinolinyl]methyl]-4-(1-pyrazolyl)benzamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[(7-fluoro-2-morpholin-4-ylquinolin-3-yl)methyl]-4-pyrazol-1-ylbenzamide Traditional Name: N-[(7-fluoro-2-morpholino-3-quinolyl)methyl]-N-piperonyl-4-pyrazol-1-yl-benzamide Formula: C32H28FN5O4 MolecularWeight: 565.594223

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C3C=CC(=CC3=N2)F)CN(CC4=CC5=C(C=C4)OCO5)C(=O)C6=CC=C(C=C6)N7C=CC=N7

Isomeric SMILES

C1COCCN1C2=C(C=C3C=CC(=CC3=N2)F)CN(CC4=CC5=C(C=C4)OCO5)C(=O)C6=CC=C(C=C6)N7C=CC=N7

InChI

InChI=1S/C32H28FN5O4/c33-26-6-3-24-17-25(31(35-28(24)18-26)36-12-14-40-15-13-36)20-37(19-22-2-9-29-30(16-22)42-21-41-29)32(39)23-4-7-27(8-5-23)38-11-1-10-34-38/h1-11,16-18H,12-15,19-21H2