N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-1-(3-fluorophenyl)-5-pyrrol-1-yl-pyrazole-4-carboxamide

Systemtic Name: N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-1-(3-fluorophenyl)-5-pyrrol-1-yl-pyrazole-4-carboxamide Openeye Name: N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-1-(3-fluorophenyl)-5-pyrrol-1-yl-pyrazole-4-carboxamide CAS Name: N-[4-[(4-ethyl-1-piperazinyl)methyl]phenyl]-1-(3-fluorophenyl)-5-(1-pyrrolyl)-4-pyrazolecarboxamide IUPAC Name: N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-1-(3-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide Traditional Name: N-[4-[(4-ethylpiperazino)methyl]phenyl]-1-(3-fluorophenyl)-5-pyrrol-1-yl-pyrazole-4-carboxamide Formula: C27H29FN6O MolecularWeight: 472.557163

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)CC2=CC=C(C=C2)NC(=O)C3=C(N(N=C3)C4=CC(=CC=C4)F)N5C=CC=C5

Isomeric SMILES

CCN1CCN(CC1)CC2=CC=C(C=C2)NC(=O)C3=C(N(N=C3)C4=CC(=CC=C4)F)N5C=CC=C5

InChI

InChI=1S/C27H29FN6O/c1-2-31-14-16-32(17-15-31)20-21-8-10-23(11-9-21)30-26(35)25-19-29-34(24-7-5-6-22(28)18-24)27(25)33-12-3-4-13-33/h3-13,18-19H,2,14-17,20H2,1H3,(H,30,35)