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

Systemtic Name: [4-[(2-chloranyl-4-fluoranyl-phenyl)methyl]piperazin-1-yl]-(1-methyl-5-pyrrol-1-yl-pyrazol-4-yl)methanone Openeye Name: [4-[(2-chloro-4-fluoro-phenyl)methyl]piperazin-1-yl]-(1-methyl-5-pyrrol-1-yl-pyrazol-4-yl)methanone CAS Name: [4-[(2-chloro-4-fluorophenyl)methyl]-1-piperazinyl]-[1-methyl-5-(1-pyrrolyl)-4-pyrazolyl]methanone IUPAC Name: [4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-(1-methyl-5-pyrrol-1-ylpyrazol-4-yl)methanone Traditional Name: [4-(2-chloro-4-fluoro-benzyl)piperazino]-(1-methyl-5-pyrrol-1-yl-pyrazol-4-yl)methanone Formula: C20H21ClFN5O MolecularWeight: 401.865043

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C=N1)C(=O)N2CCN(CC2)CC3=C(C=C(C=C3)F)Cl)N4C=CC=C4

Isomeric SMILES

CN1C(=C(C=N1)C(=O)N2CCN(CC2)CC3=C(C=C(C=C3)F)Cl)N4C=CC=C4

InChI

InChI=1S/C20H21ClFN5O/c1-24-19(26-6-2-3-7-26)17(13-23-24)20(28)27-10-8-25(9-11-27)14-15-4-5-16(22)12-18(15)21/h2-7,12-13H,8-11,14H2,1H3