N-(3-fluorophenyl)-9-(1-methylpyrrol-2-yl)carbonyl-4,9-diazaspiro[5.5]undecane-4-carboxamide

Systemtic Name: N-(3-fluorophenyl)-9-(1-methylpyrrol-2-yl)carbonyl-4,9-diazaspiro[5.5]undecane-4-carboxamide Openeye Name: N-(3-fluorophenyl)-9-(1-methylpyrrole-2-carbonyl)-4,9-diazaspiro[5.5]undecane-4-carboxamide CAS Name: N-(3-fluorophenyl)-9-[(1-methyl-2-pyrrolyl)-oxomethyl]-4,9-diazaspiro[5.5]undecane-4-carboxamide IUPAC Name: N-(3-fluorophenyl)-9-(1-methylpyrrole-2-carbonyl)-4,9-diazaspiro[5.5]undecane-4-carboxamide Traditional Name: N-(3-fluorophenyl)-9-(1-methylpyrrole-2-carbonyl)-4,9-diazaspiro[5.5]undecane-4-carboxamide Formula: C22H27FN4O2 MolecularWeight: 398.473783

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C(=O)N2CCC3(CCCN(C3)C(=O)NC4=CC(=CC=C4)F)CC2

Isomeric SMILES

CN1C=CC=C1C(=O)N2CCC3(CCCN(C3)C(=O)NC4=CC(=CC=C4)F)CC2

InChI

InChI=1S/C22H27FN4O2/c1-25-11-3-7-19(25)20(28)26-13-9-22(10-14-26)8-4-12-27(16-22)21(29)24-18-6-2-5-17(23)15-18/h2-3,5-7,11,15H,4,8-10,12-14,16H2,1H3,(H,24,29)