N-[2-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]ethyl]-1-(4-fluorophenyl)-3-methyl-5-pyrrol-1-yl-pyrazole-4-carboxamide

Systemtic Name: N-[2-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]ethyl]-1-(4-fluorophenyl)-3-methyl-5-pyrrol-1-yl-pyrazole-4-carboxamide Openeye Name: N-[2-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]ethyl]-1-(4-fluorophenyl)-3-methyl-5-pyrrol-1-yl-pyrazole-4-carboxamide CAS Name: N-[2-[4-(5-chloro-2-methylphenyl)-1-piperazinyl]ethyl]-1-(4-fluorophenyl)-3-methyl-5-(1-pyrrolyl)-4-pyrazolecarboxamide IUPAC Name: N-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl]-1-(4-fluorophenyl)-3-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide Traditional Name: N-[2-[4-(5-chloro-2-methyl-phenyl)piperazino]ethyl]-1-(4-fluorophenyl)-3-methyl-5-pyrrol-1-yl-pyrazole-4-carboxamide Formula: C28H30ClFN6O MolecularWeight: 521.028803

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)CCNC(=O)C3=C(N(N=C3C)C4=CC=C(C=C4)F)N5C=CC=C5

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)CCNC(=O)C3=C(N(N=C3C)C4=CC=C(C=C4)F)N5C=CC=C5

InChI

InChI=1S/C28H30ClFN6O/c1-20-5-6-22(29)19-25(20)34-17-15-33(16-18-34)14-11-31-27(37)26-21(2)32-36(24-9-7-23(30)8-10-24)28(26)35-12-3-4-13-35/h3-10,12-13,19H,11,14-18H2,1-2H3,(H,31,37)