N-[(2S)-1-(cyclopentylamino)-3-oxidanyl-1-oxidanylidene-propan-2-yl]quinoline-3-carboxamide

Systemtic Name: N-[(2S)-1-(cyclopentylamino)-3-oxidanyl-1-oxidanylidene-propan-2-yl]quinoline-3-carboxamide Openeye Name: N-[(1S)-2-(cyclopentylamino)-1-(hydroxymethyl)-2-oxo-ethyl]quinoline-3-carboxamide CAS Name: N-[(2S)-1-(cyclopentylamino)-3-hydroxy-1-oxopropan-2-yl]-3-quinolinecarboxamide IUPAC Name: N-[(2S)-1-(cyclopentylamino)-3-hydroxy-1-oxopropan-2-yl]quinoline-3-carboxamide Traditional Name: N-[(1S)-2-(cyclopentylamino)-2-keto-1-methylol-ethyl]quinoline-3-carboxamide Formula: C18H21N3O3 MolecularWeight: 327.37764

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=O)C(CO)NC(=O)C2=CC3=CC=CC=C3N=C2

Isomeric SMILES

C1CCC(C1)NC(=O)[C@H](CO)NC(=O)C2=CC3=CC=CC=C3N=C2

InChI

InChI=1S/C18H21N3O3/c22-11-16(18(24)20-14-6-2-3-7-14)21-17(23)13-9-12-5-1-4-8-15(12)19-10-13/h1,4-5,8-10,14,16,22H,2-3,6-7,11H2,(H,20,24)(H,21,23)/t16-/m0/s1