1-[(2,5-dimethyl-1-phenyl-pyrrol-3-yl)methyl]-3-(3-fluoranyl-4-methyl-phenyl)urea

Systemtic Name: 1-[(2,5-dimethyl-1-phenyl-pyrrol-3-yl)methyl]-3-(3-fluoranyl-4-methyl-phenyl)urea Openeye Name: 1-[(2,5-dimethyl-1-phenyl-pyrrol-3-yl)methyl]-3-(3-fluoro-4-methyl-phenyl)urea CAS Name: 1-[(2,5-dimethyl-1-phenyl-3-pyrrolyl)methyl]-3-(3-fluoro-4-methylphenyl)urea IUPAC Name: 1-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]-3-(3-fluoro-4-methylphenyl)urea Traditional Name: 1-[(2,5-dimethyl-1-phenyl-pyrrol-3-yl)methyl]-3-(3-fluoro-4-methyl-phenyl)urea Formula: C21H22FN3O MolecularWeight: 351.417283

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)NCC2=C(N(C(=C2)C)C3=CC=CC=C3)C)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)NCC2=C(N(C(=C2)C)C3=CC=CC=C3)C)F

InChI

InChI=1S/C21H22FN3O/c1-14-9-10-18(12-20(14)22)24-21(26)23-13-17-11-15(2)25(16(17)3)19-7-5-4-6-8-19/h4-12H,13H2,1-3H3,(H2,23,24,26)