4-chloranyl-N-[(2S)-3-methyl-1-oxidanylidene-1-[(1-phenylpyrazol-4-yl)methylamino]butan-2-yl]benzamide

Systemtic Name: 4-chloranyl-N-[(2S)-3-methyl-1-oxidanylidene-1-[(1-phenylpyrazol-4-yl)methylamino]butan-2-yl]benzamide Openeye Name: 4-chloro-N-[(1S)-2-methyl-1-[(1-phenylpyrazol-4-yl)methylcarbamoyl]propyl]benzamide CAS Name: 4-chloro-N-[(2S)-3-methyl-1-oxo-1-[(1-phenyl-4-pyrazolyl)methylamino]butan-2-yl]benzamide IUPAC Name: 4-chloro-N-[(2S)-3-methyl-1-oxo-1-[(1-phenylpyrazol-4-yl)methylamino]butan-2-yl]benzamide Traditional Name: 4-chloro-N-[(1S)-2-methyl-1-[(1-phenylpyrazol-4-yl)methylcarbamoyl]propyl]benzamide Formula: C22H23ClN4O2 MolecularWeight: 410.89662

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC1=CN(N=C1)C2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)[C@@H](C(=O)NCC1=CN(N=C1)C2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H23ClN4O2/c1-15(2)20(26-21(28)17-8-10-18(23)11-9-17)22(29)24-12-16-13-25-27(14-16)19-6-4-3-5-7-19/h3-11,13-15,20H,12H2,1-2H3,(H,24,29)(H,26,28)/t20-/m0/s1