N5-(4-methoxybutyl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide

Systemtic Name: N5-(4-methoxybutyl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide Openeye Name: N5-(4-methoxybutyl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide CAS Name: N5-(4-methoxybutyl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide IUPAC Name: 5-N-(4-methoxybutyl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide Traditional Name: N-(4-methoxybutyl)-1-phenyl-2-pyrazoline-3,5-dicarboxamide Formula: C16H22N4O3 MolecularWeight: 318.37088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCCCNC(=O)C1=NN(C(C1)C(=O)N)C2=CC=CC=C2

Isomeric SMILES

COCCCCNC(=O)C1=NN(C(C1)C(=O)N)C2=CC=CC=C2

InChI

InChI=1S/C16H22N4O3/c1-23-10-6-5-9-18-16(22)13-11-14(15(17)21)20(19-13)12-7-3-2-4-8-12/h2-4,7-8,14H,5-6,9-11H2,1H3,(H2,17,21)(H,18,22)