N-[4-oxidanylidene-4-[(1-phenylpyrazol-4-yl)methylamino]butan-2-yl]benzamide

Systemtic Name: N-[4-oxidanylidene-4-[(1-phenylpyrazol-4-yl)methylamino]butan-2-yl]benzamide Openeye Name: N-[1-methyl-3-oxo-3-[(1-phenylpyrazol-4-yl)methylamino]propyl]benzamide CAS Name: N-[4-oxo-4-[(1-phenyl-4-pyrazolyl)methylamino]butan-2-yl]benzamide IUPAC Name: N-[4-oxo-4-[(1-phenylpyrazol-4-yl)methylamino]butan-2-yl]benzamide Traditional Name: N-[3-keto-1-methyl-3-[(1-phenylpyrazol-4-yl)methylamino]propyl]benzamide Formula: C21H22N4O2 MolecularWeight: 362.42498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O2/c1-16(24-21(27)18-8-4-2-5-9-18)12-20(26)22-13-17-14-23-25(15-17)19-10-6-3-7-11-19/h2-11,14-16H,12-13H2,1H3,(H,22,26)(H,24,27)