N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[1-(4-fluorophenyl)-5-pyrrol-1-yl-pyrazol-4-yl]carbonyl-piperidine-3-carboxamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[1-(4-fluorophenyl)-5-pyrrol-1-yl-pyrazol-4-yl]carbonyl-piperidine-3-carboxamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[1-(4-fluorophenyl)-5-pyrrol-1-yl-pyrazole-4-carbonyl]piperidine-3-carboxamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[[1-(4-fluorophenyl)-5-(1-pyrrolyl)-4-pyrazolyl]-oxomethyl]-3-piperidinecarboxamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]piperidine-3-carboxamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[1-(4-fluorophenyl)-5-pyrrol-1-yl-pyrazole-4-carbonyl]nipecotamide Formula: C28H26FN5O4 MolecularWeight: 515.535543

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=C(N(N=C2)C3=CC=C(C=C3)F)N4C=CC=C4)C(=O)NC5=CC6=C(C=C5)OCCO6

Isomeric SMILES

C1CC(CN(C1)C(=O)C2=C(N(N=C2)C3=CC=C(C=C3)F)N4C=CC=C4)C(=O)NC5=CC6=C(C=C5)OCCO6

InChI

InChI=1S/C28H26FN5O4/c29-20-5-8-22(9-6-20)34-27(32-11-1-2-12-32)23(17-30-34)28(36)33-13-3-4-19(18-33)26(35)31-21-7-10-24-25(16-21)38-15-14-37-24/h1-2,5-12,16-17,19H,3-4,13-15,18H2,(H,31,35)