N-[(2S)-1-[(6-azanylpyridin-3-yl)methylamino]-3-(4-fluorophenyl)-1-oxidanylidene-propan-2-yl]-3-methyl-1H-pyrrole-2-carboxamide

Systemtic Name: N-[(2S)-1-[(6-azanylpyridin-3-yl)methylamino]-3-(4-fluorophenyl)-1-oxidanylidene-propan-2-yl]-3-methyl-1H-pyrrole-2-carboxamide Openeye Name: N-[(1S)-2-[(6-amino-3-pyridyl)methylamino]-1-[(4-fluorophenyl)methyl]-2-oxo-ethyl]-3-methyl-1H-pyrrole-2-carboxamide CAS Name: N-[(2S)-1-[(6-amino-3-pyridinyl)methylamino]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-3-methyl-1H-pyrrole-2-carboxamide IUPAC Name: N-[(2S)-1-[(6-aminopyridin-3-yl)methylamino]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-3-methyl-1H-pyrrole-2-carboxamide Traditional Name: N-[(1S)-2-[(6-amino-3-pyridyl)methylamino]-1-(4-fluorobenzyl)-2-keto-ethyl]-3-methyl-1H-pyrrole-2-carboxamide Formula: C21H22FN5O2 MolecularWeight: 395.430083

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC=C1)C(=O)NC(CC2=CC=C(C=C2)F)C(=O)NCC3=CN=C(C=C3)N

Isomeric SMILES

CC1=C(NC=C1)C(=O)N[C@@H](CC2=CC=C(C=C2)F)C(=O)NCC3=CN=C(C=C3)N

InChI

InChI=1S/C21H22FN5O2/c1-13-8-9-24-19(13)21(29)27-17(10-14-2-5-16(22)6-3-14)20(28)26-12-15-4-7-18(23)25-11-15/h2-9,11,17,24H,10,12H2,1H3,(H2,23,25)(H,26,28)(H,27,29)/t17-/m0/s1