4-[2-(butan-2-ylamino)-5-methyl-pyridin-4-yl]-N-[(1S)-2-oxidanyl-1-phenyl-ethyl]-1H-pyrrole-2-carboxamide

Systemtic Name: 4-[2-(butan-2-ylamino)-5-methyl-pyridin-4-yl]-N-[(1S)-2-oxidanyl-1-phenyl-ethyl]-1H-pyrrole-2-carboxamide Openeye Name: N-[(1S)-2-hydroxy-1-phenyl-ethyl]-4-[5-methyl-2-(sec-butylamino)-4-pyridyl]-1H-pyrrole-2-carboxamide CAS Name: 4-[2-(butan-2-ylamino)-5-methyl-4-pyridinyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrrole-2-carboxamide IUPAC Name: 4-[2-(butan-2-ylamino)-5-methylpyridin-4-yl]-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrrole-2-carboxamide Traditional Name: N-[(1S)-2-hydroxy-1-phenyl-ethyl]-4-[5-methyl-2-(sec-butylamino)-4-pyridyl]-1H-pyrrole-2-carboxamide Formula: C23H28N4O2 MolecularWeight: 392.49402

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC1=NC=C(C(=C1)C2=CNC(=C2)C(=O)NC(CO)C3=CC=CC=C3)C

Isomeric SMILES

CCC(C)NC1=NC=C(C(=C1)C2=CNC(=C2)C(=O)N[C@H](CO)C3=CC=CC=C3)C

InChI

InChI=1S/C23H28N4O2/c1-4-16(3)26-22-11-19(15(2)12-25-22)18-10-20(24-13-18)23(29)27-21(14-28)17-8-6-5-7-9-17/h5-13,16,21,24,28H,4,14H2,1-3H3,(H,25,26)(H,27,29)/t16?,21-/m1/s1