1-[2-[(3-cyano-6,8-dimethyl-quinolin-2-yl)amino]ethyl]-3-(3-fluorophenyl)urea

Systemtic Name: 1-[2-[(3-cyano-6,8-dimethyl-quinolin-2-yl)amino]ethyl]-3-(3-fluorophenyl)urea Openeye Name: 1-[2-[(3-cyano-6,8-dimethyl-2-quinolyl)amino]ethyl]-3-(3-fluorophenyl)urea CAS Name: 1-[2-[(3-cyano-6,8-dimethyl-2-quinolinyl)amino]ethyl]-3-(3-fluorophenyl)urea IUPAC Name: 1-[2-[(3-cyano-6,8-dimethylquinolin-2-yl)amino]ethyl]-3-(3-fluorophenyl)urea Traditional Name: 1-[2-[(3-cyano-6,8-dimethyl-2-quinolyl)amino]ethyl]-3-(3-fluorophenyl)urea Formula: C21H20FN5O MolecularWeight: 377.414803

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C=C(C(=N2)NCCNC(=O)NC3=CC(=CC=C3)F)C#N)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C=C(C(=N2)NCCNC(=O)NC3=CC(=CC=C3)F)C#N)C

InChI

InChI=1S/C21H20FN5O/c1-13-8-14(2)19-15(9-13)10-16(12-23)20(27-19)24-6-7-25-21(28)26-18-5-3-4-17(22)11-18/h3-5,8-11H,6-7H2,1-2H3,(H,24,27)(H2,25,26,28)