N-[[3-[2,4-dimethyl-3-[(2-methyl-4-pyrazol-1-yl-quinolin-8-yl)oxymethyl]phenyl]thiophen-2-yl]methyl]ethanamide

Systemtic Name: N-[[3-[2,4-dimethyl-3-[(2-methyl-4-pyrazol-1-yl-quinolin-8-yl)oxymethyl]phenyl]thiophen-2-yl]methyl]ethanamide Openeye Name: N-[[3-[2,4-dimethyl-3-[(2-methyl-4-pyrazol-1-yl-8-quinolyl)oxymethyl]phenyl]-2-thienyl]methyl]acetamide CAS Name: N-[[3-[2,4-dimethyl-3-[[2-methyl-4-(1-pyrazolyl)-8-quinolinyl]oxymethyl]phenyl]-2-thiophenyl]methyl]acetamide IUPAC Name: N-[[3-[2,4-dimethyl-3-[(2-methyl-4-pyrazol-1-ylquinolin-8-yl)oxymethyl]phenyl]thiophen-2-yl]methyl]acetamide Traditional Name: N-[[3-[2,4-dimethyl-3-[(2-methyl-4-pyrazol-1-yl-8-quinolyl)oxymethyl]phenyl]-2-thienyl]methyl]acetamide Formula: C29H28N4O2S MolecularWeight: 496.62322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C2=C(SC=C2)CNC(=O)C)C)COC3=CC=CC4=C3N=C(C=C4N5C=CC=N5)C

Isomeric SMILES

CC1=C(C(=C(C=C1)C2=C(SC=C2)CNC(=O)C)C)COC3=CC=CC4=C3N=C(C=C4N5C=CC=N5)C

InChI

InChI=1S/C29H28N4O2S/c1-18-9-10-22(23-11-14-36-28(23)16-30-21(4)34)20(3)25(18)17-35-27-8-5-7-24-26(33-13-6-12-31-33)15-19(2)32-29(24)27/h5-15H,16-17H2,1-4H3,(H,30,34)