[6-[(4-ethynyl-2-methyl-phenyl)amino]-7-fluoranyl-3H-benzimidazol-5-yl]-piperazin-1-yl-methanone

Systemtic Name: [6-[(4-ethynyl-2-methyl-phenyl)amino]-7-fluoranyl-3H-benzimidazol-5-yl]-piperazin-1-yl-methanone Openeye Name: [6-(4-ethynyl-2-methyl-anilino)-7-fluoro-3H-benzimidazol-5-yl]-piperazin-1-yl-methanone CAS Name: [6-(4-ethynyl-2-methylanilino)-7-fluoro-3H-benzimidazol-5-yl]-(1-piperazinyl)methanone IUPAC Name: [6-(4-ethynyl-2-methylanilino)-7-fluoro-3H-benzimidazol-5-yl]-piperazin-1-ylmethanone Traditional Name: [6-(4-ethynyl-2-methyl-anilino)-7-fluoro-3H-benzimidazol-5-yl]-piperazino-methanone Formula: C21H20FN5O MolecularWeight: 377.414803

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C#C)NC2=C(C3=C(C=C2C(=O)N4CCNCC4)NC=N3)F

Isomeric SMILES

CC1=C(C=CC(=C1)C#C)NC2=C(C3=C(C=C2C(=O)N4CCNCC4)NC=N3)F

InChI

InChI=1S/C21H20FN5O/c1-3-14-4-5-16(13(2)10-14)26-19-15(21(28)27-8-6-23-7-9-27)11-17-20(18(19)22)25-12-24-17/h1,4-5,10-12,23,26H,6-9H2,2H3,(H,24,25)