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

Systemtic Name: N-[2-(azepan-1-yl)ethyl]-1-(4-fluorophenyl)-3-methyl-5-pyrrol-1-yl-pyrazole-4-carboxamide Openeye Name: N-[2-(azepan-1-yl)ethyl]-1-(4-fluorophenyl)-3-methyl-5-pyrrol-1-yl-pyrazole-4-carboxamide CAS Name: N-[2-(1-azepanyl)ethyl]-1-(4-fluorophenyl)-3-methyl-5-(1-pyrrolyl)-4-pyrazolecarboxamide IUPAC Name: N-[2-(azepan-1-yl)ethyl]-1-(4-fluorophenyl)-3-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide Traditional Name: N-[2-(azepan-1-yl)ethyl]-1-(4-fluorophenyl)-3-methyl-5-pyrrol-1-yl-pyrazole-4-carboxamide Formula: C23H28FN5O MolecularWeight: 409.499723

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)NCCN2CCCCCC2)N3C=CC=C3)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=NN(C(=C1C(=O)NCCN2CCCCCC2)N3C=CC=C3)C4=CC=C(C=C4)F

InChI

InChI=1S/C23H28FN5O/c1-18-21(22(30)25-12-17-27-13-4-2-3-5-14-27)23(28-15-6-7-16-28)29(26-18)20-10-8-19(24)9-11-20/h6-11,15-16H,2-5,12-14,17H2,1H3,(H,25,30)