2-butan-2-yl-5-(4-cyanophenyl)-N-(cyclopropylmethyl)-4-ethyl-pyrazole-3-carboxamide

Systemtic Name: 2-butan-2-yl-5-(4-cyanophenyl)-N-(cyclopropylmethyl)-4-ethyl-pyrazole-3-carboxamide Openeye Name: 5-(4-cyanophenyl)-N-(cyclopropylmethyl)-4-ethyl-2-sec-butyl-pyrazole-3-carboxamide CAS Name: 2-butan-2-yl-5-(4-cyanophenyl)-N-(cyclopropylmethyl)-4-ethyl-3-pyrazolecarboxamide IUPAC Name: 2-butan-2-yl-5-(4-cyanophenyl)-N-(cyclopropylmethyl)-4-ethylpyrazole-3-carboxamide Traditional Name: 5-(4-cyanophenyl)-N-(cyclopropylmethyl)-4-ethyl-2-sec-butyl-pyrazole-3-carboxamide Formula: C21H26N4O MolecularWeight: 350.45734

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N(N=C1C2=CC=C(C=C2)C#N)C(C)CC)C(=O)NCC3CC3

Isomeric SMILES

CCC1=C(N(N=C1C2=CC=C(C=C2)C#N)C(C)CC)C(=O)NCC3CC3

InChI

InChI=1S/C21H26N4O/c1-4-14(3)25-20(21(26)23-13-16-6-7-16)18(5-2)19(24-25)17-10-8-15(12-22)9-11-17/h8-11,14,16H,4-7,13H2,1-3H3,(H,23,26)