3-[(E)-4-(cyclopropylmethylamino)but-2-enoxy]-2-(3-fluorophenyl)carbonyl-benzenecarbonitrile

Systemtic Name: 3-[(E)-4-(cyclopropylmethylamino)but-2-enoxy]-2-(3-fluorophenyl)carbonyl-benzenecarbonitrile Openeye Name: 3-[(E)-4-(cyclopropylmethylamino)but-2-enoxy]-2-(3-fluorobenzoyl)benzonitrile CAS Name: 3-[(E)-4-(cyclopropylmethylamino)but-2-enoxy]-2-[(3-fluorophenyl)-oxomethyl]benzonitrile IUPAC Name: 3-[(E)-4-(cyclopropylmethylamino)but-2-enoxy]-2-(3-fluorobenzoyl)benzonitrile Traditional Name: 3-[(E)-4-(cyclopropylmethylamino)but-2-enoxy]-2-(3-fluorobenzoyl)benzonitrile Formula: C22H21FN2O2 MolecularWeight: 364.412743

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1CNCC=CCOC2=CC=CC(=C2C(=O)C3=CC(=CC=C3)F)C#N

Isomeric SMILES

C1CC1CNC/C=C/COC2=CC=CC(=C2C(=O)C3=CC(=CC=C3)F)C#N

InChI

InChI=1S/C22H21FN2O2/c23-19-7-3-5-17(13-19)22(26)21-18(14-24)6-4-8-20(21)27-12-2-1-11-25-15-16-9-10-16/h1-8,13,16,25H,9-12,15H2/b2-1+