5-chloranyl-N-[2,5-diethoxy-4-(3-methylbutanoylamino)phenyl]-3-methyl-1-phenyl-pyrazole-4-carboxamide

Systemtic Name: 5-chloranyl-N-[2,5-diethoxy-4-(3-methylbutanoylamino)phenyl]-3-methyl-1-phenyl-pyrazole-4-carboxamide Openeye Name: 5-chloro-N-[2,5-diethoxy-4-(3-methylbutanoylamino)phenyl]-3-methyl-1-phenyl-pyrazole-4-carboxamide CAS Name: 5-chloro-N-[2,5-diethoxy-4-[(3-methyl-1-oxobutyl)amino]phenyl]-3-methyl-1-phenyl-4-pyrazolecarboxamide IUPAC Name: 5-chloro-N-[2,5-diethoxy-4-(3-methylbutanoylamino)phenyl]-3-methyl-1-phenylpyrazole-4-carboxamide Traditional Name: 5-chloro-N-[2,5-diethoxy-4-(isovalerylamino)phenyl]-3-methyl-1-phenyl-pyrazole-4-carboxamide Formula: C26H31ClN4O4 MolecularWeight: 499.00174

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1NC(=O)C2=C(N(N=C2C)C3=CC=CC=C3)Cl)OCC)NC(=O)CC(C)C

Isomeric SMILES

CCOC1=CC(=C(C=C1NC(=O)C2=C(N(N=C2C)C3=CC=CC=C3)Cl)OCC)NC(=O)CC(C)C

InChI

InChI=1S/C26H31ClN4O4/c1-6-34-21-15-20(22(35-7-2)14-19(21)28-23(32)13-16(3)4)29-26(33)24-17(5)30-31(25(24)27)18-11-9-8-10-12-18/h8-12,14-16H,6-7,13H2,1-5H3,(H,28,32)(H,29,33)