N-[(2S)-1-[(4-chlorophenyl)methylamino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]quinoline-4-carboxamide

Systemtic Name: N-[(2S)-1-[(4-chlorophenyl)methylamino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]quinoline-4-carboxamide Openeye Name: N-[(1S)-2-[(4-chlorophenyl)methylamino]-1-(hydroxymethyl)-2-oxo-ethyl]quinoline-4-carboxamide CAS Name: N-[(2S)-1-[(4-chlorophenyl)methylamino]-3-hydroxy-1-oxopropan-2-yl]-4-quinolinecarboxamide IUPAC Name: N-[(2S)-1-[(4-chlorophenyl)methylamino]-3-hydroxy-1-oxopropan-2-yl]quinoline-4-carboxamide Traditional Name: N-[(1S)-2-[(4-chlorobenzyl)amino]-2-keto-1-methylol-ethyl]cinchoninamide Formula: C20H18ClN3O3 MolecularWeight: 383.82822

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC=N2)C(=O)NC(CO)C(=O)NCC3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC=N2)C(=O)N[C@@H](CO)C(=O)NCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H18ClN3O3/c21-14-7-5-13(6-8-14)11-23-20(27)18(12-25)24-19(26)16-9-10-22-17-4-2-1-3-15(16)17/h1-10,18,25H,11-12H2,(H,23,27)(H,24,26)/t18-/m0/s1