1-(4-fluorophenyl)-3-methyl-N-[3-[4-(phenylmethyl)piperazin-1-yl]propyl]-5-pyrrol-1-yl-pyrazole-4-carboxamide

Systemtic Name: 1-(4-fluorophenyl)-3-methyl-N-[3-[4-(phenylmethyl)piperazin-1-yl]propyl]-5-pyrrol-1-yl-pyrazole-4-carboxamide Openeye Name: N-[3-(4-benzylpiperazin-1-yl)propyl]-1-(4-fluorophenyl)-3-methyl-5-pyrrol-1-yl-pyrazole-4-carboxamide CAS Name: 1-(4-fluorophenyl)-3-methyl-N-[3-[4-(phenylmethyl)-1-piperazinyl]propyl]-5-(1-pyrrolyl)-4-pyrazolecarboxamide IUPAC Name: N-[3-(4-benzylpiperazin-1-yl)propyl]-1-(4-fluorophenyl)-3-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide Traditional Name: N-[3-(4-benzylpiperazino)propyl]-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=NN(C(=C1C(=O)NCCCN2CCN(CC2)CC3=CC=CC=C3)N4C=CC=C4)C5=CC=C(C=C5)F

Isomeric SMILES

CC1=NN(C(=C1C(=O)NCCCN2CCN(CC2)CC3=CC=CC=C3)N4C=CC=C4)C5=CC=C(C=C5)F

InChI

InChI=1S/C29H33FN6O/c1-23-27(29(35-16-5-6-17-35)36(32-23)26-12-10-25(30)11-13-26)28(37)31-14-7-15-33-18-20-34(21-19-33)22-24-8-3-2-4-9-24/h2-6,8-13,16-17H,7,14-15,18-22H2,1H3,(H,31,37)