N-[5-(3-acetamidopropyl)-3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl]benzamide

Systemtic Name: N-[5-(3-acetamidopropyl)-3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl]benzamide Openeye Name: N-[5-(3-acetamidopropyl)-3-oxo-2-phenyl-1H-pyrazol-4-yl]benzamide CAS Name: N-[5-(3-acetamidopropyl)-3-oxo-2-phenyl-1H-pyrazol-4-yl]benzamide IUPAC Name: N-[5-(3-acetamidopropyl)-3-oxo-2-phenyl-1H-pyrazol-4-yl]benzamide Traditional Name: N-[3-(3-acetamidopropyl)-5-keto-1-phenyl-3-pyrazolin-4-yl]benzamide Formula: C21H22N4O3 MolecularWeight: 378.42438

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCCC1=C(C(=O)N(N1)C2=CC=CC=C2)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(=O)NCCCC1=C(C(=O)N(N1)C2=CC=CC=C2)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H22N4O3/c1-15(26)22-14-8-13-18-19(23-20(27)16-9-4-2-5-10-16)21(28)25(24-18)17-11-6-3-7-12-17/h2-7,9-12,24H,8,13-14H2,1H3,(H,22,26)(H,23,27)