4-[[4-(3-ethoxypyrrolidin-1-yl)-2,6-dimethyl-quinolin-7-yl]methylamino]benzenecarbonitrile

Systemtic Name: 4-[[4-(3-ethoxypyrrolidin-1-yl)-2,6-dimethyl-quinolin-7-yl]methylamino]benzenecarbonitrile Openeye Name: 4-[[4-(3-ethoxypyrrolidin-1-yl)-2,6-dimethyl-7-quinolyl]methylamino]benzonitrile CAS Name: 4-[[4-(3-ethoxy-1-pyrrolidinyl)-2,6-dimethyl-7-quinolinyl]methylamino]benzonitrile IUPAC Name: 4-[[4-(3-ethoxypyrrolidin-1-yl)-2,6-dimethylquinolin-7-yl]methylamino]benzonitrile Traditional Name: 4-[[4-(3-ethoxypyrrolidino)-2,6-dimethyl-7-quinolyl]methylamino]benzonitrile Formula: C25H28N4O MolecularWeight: 400.51602

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1CCN(C1)C2=CC(=NC3=CC(=C(C=C32)C)CNC4=CC=C(C=C4)C#N)C

Isomeric SMILES

CCOC1CCN(C1)C2=CC(=NC3=CC(=C(C=C32)C)CNC4=CC=C(C=C4)C#N)C

InChI

InChI=1S/C25H28N4O/c1-4-30-22-9-10-29(16-22)25-12-18(3)28-24-13-20(17(2)11-23(24)25)15-27-21-7-5-19(14-26)6-8-21/h5-8,11-13,22,27H,4,9-10,15-16H2,1-3H3