N-[(2S)-3-oxidanyl-1-oxidanylidene-1-phenylazanyl-propan-2-yl]-6-(propan-2-ylamino)pyridine-3-carboxamide

Systemtic Name: N-[(2S)-3-oxidanyl-1-oxidanylidene-1-phenylazanyl-propan-2-yl]-6-(propan-2-ylamino)pyridine-3-carboxamide Openeye Name: N-[(1S)-2-anilino-1-(hydroxymethyl)-2-oxo-ethyl]-6-(isopropylamino)pyridine-3-carboxamide CAS Name: N-[(2S)-1-anilino-3-hydroxy-1-oxopropan-2-yl]-6-(propan-2-ylamino)-3-pyridinecarboxamide IUPAC Name: N-[(2S)-1-anilino-3-hydroxy-1-oxopropan-2-yl]-6-(propan-2-ylamino)pyridine-3-carboxamide Traditional Name: N-[(1S)-2-anilino-2-keto-1-methylol-ethyl]-6-(isopropylamino)nicotinamide Formula: C18H22N4O3 MolecularWeight: 342.39228

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=NC=C(C=C1)C(=O)NC(CO)C(=O)NC2=CC=CC=C2

Isomeric SMILES

CC(C)NC1=NC=C(C=C1)C(=O)N[C@@H](CO)C(=O)NC2=CC=CC=C2

InChI

InChI=1S/C18H22N4O3/c1-12(2)20-16-9-8-13(10-19-16)17(24)22-15(11-23)18(25)21-14-6-4-3-5-7-14/h3-10,12,15,23H,11H2,1-2H3,(H,19,20)(H,21,25)(H,22,24)/t15-/m0/s1