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

Systemtic Name: N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl]-1-(4-fluorophenyl)-3-methyl-5-pyrrol-1-yl-pyrazole-4-carboxamide Openeye Name: N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl]-1-(4-fluorophenyl)-3-methyl-5-pyrrol-1-yl-pyrazole-4-carboxamide CAS Name: N-[2-[4-(2,3-dimethylphenyl)-1-piperazinyl]ethyl]-1-(4-fluorophenyl)-3-methyl-5-(1-pyrrolyl)-4-pyrazolecarboxamide IUPAC Name: N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl]-1-(4-fluorophenyl)-3-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide Traditional Name: N-[2-[4-(2,3-dimethylphenyl)piperazino]ethyl]-1-(4-fluorophenyl)-3-methyl-5-pyrrol-1-yl-pyrazole-4-carboxamide Formula: C29H33FN6O MolecularWeight: 500.610323

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H33FN6O/c1-21-7-6-8-26(22(21)2)34-19-17-33(18-20-34)16-13-31-28(37)27-23(3)32-36(25-11-9-24(30)10-12-25)29(27)35-14-4-5-15-35/h4-12,14-15H,13,16-20H2,1-3H3,(H,31,37)