N-[(2S)-butan-2-yl]-1-[(3-fluorophenyl)methyl]-3,5-dimethyl-4-morpholin-4-yl-pyrrole-2-carboxamide

Systemtic Name: N-[(2S)-butan-2-yl]-1-[(3-fluorophenyl)methyl]-3,5-dimethyl-4-morpholin-4-yl-pyrrole-2-carboxamide Openeye Name: 1-[(3-fluorophenyl)methyl]-3,5-dimethyl-N-[(1S)-1-methylpropyl]-4-morpholino-pyrrole-2-carboxamide CAS Name: N-[(2S)-butan-2-yl]-1-[(3-fluorophenyl)methyl]-3,5-dimethyl-4-(4-morpholinyl)-2-pyrrolecarboxamide IUPAC Name: N-[(2S)-butan-2-yl]-1-[(3-fluorophenyl)methyl]-3,5-dimethyl-4-morpholin-4-ylpyrrole-2-carboxamide Traditional Name: 1-(3-fluorobenzyl)-3,5-dimethyl-N-[(1S)-1-methylpropyl]-4-morpholino-pyrrole-2-carboxamide Formula: C22H30FN3O2 MolecularWeight: 387.490903

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=C(C(=C(N1CC2=CC(=CC=C2)F)C)N3CCOCC3)C

Isomeric SMILES

CC[C@H](C)NC(=O)C1=C(C(=C(N1CC2=CC(=CC=C2)F)C)N3CCOCC3)C

InChI

InChI=1S/C22H30FN3O2/c1-5-15(2)24-22(27)21-16(3)20(25-9-11-28-12-10-25)17(4)26(21)14-18-7-6-8-19(23)13-18/h6-8,13,15H,5,9-12,14H2,1-4H3,(H,24,27)/t15-/m0/s1