[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-1-yl]-(1-ethylbenzotriazol-5-yl)methanone

Systemtic Name: [4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-1-yl]-(1-ethylbenzotriazol-5-yl)methanone Openeye Name: [4-[(2-chloro-6-fluoro-phenyl)methyl]piperazin-1-yl]-(1-ethylbenzotriazol-5-yl)methanone CAS Name: [4-[(2-chloro-6-fluorophenyl)methyl]-1-piperazinyl]-(1-ethyl-5-benzotriazolyl)methanone IUPAC Name: [4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-(1-ethylbenzotriazol-5-yl)methanone Traditional Name: [4-(2-chloro-6-fluoro-benzyl)piperazino]-(1-ethylbenzotriazol-5-yl)methanone Formula: C20H21ClFN5O MolecularWeight: 401.865043

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)N3CCN(CC3)CC4=C(C=CC=C4Cl)F)N=N1

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)N3CCN(CC3)CC4=C(C=CC=C4Cl)F)N=N1

InChI

InChI=1S/C20H21ClFN5O/c1-2-27-19-7-6-14(12-18(19)23-24-27)20(28)26-10-8-25(9-11-26)13-15-16(21)4-3-5-17(15)22/h3-7,12H,2,8-11,13H2,1H3