N-[3-(3-azanyl-4-cyano-1H-pyrazol-5-yl)propyl]-3-(4-ethylphenyl)-1-(phenylmethyl)pyrazole-4-carboxamide

Systemtic Name: N-[3-(3-azanyl-4-cyano-1H-pyrazol-5-yl)propyl]-3-(4-ethylphenyl)-1-(phenylmethyl)pyrazole-4-carboxamide Openeye Name: N-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propyl]-1-benzyl-3-(4-ethylphenyl)pyrazole-4-carboxamide CAS Name: N-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propyl]-3-(4-ethylphenyl)-1-(phenylmethyl)-4-pyrazolecarboxamide IUPAC Name: N-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propyl]-1-benzyl-3-(4-ethylphenyl)pyrazole-4-carboxamide Traditional Name: N-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propyl]-1-benzyl-3-(4-ethylphenyl)pyrazole-4-carboxamide Formula: C26H27N7O MolecularWeight: 453.53888

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NN(C=C2C(=O)NCCCC3=C(C(=NN3)N)C#N)CC4=CC=CC=C4

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NN(C=C2C(=O)NCCCC3=C(C(=NN3)N)C#N)CC4=CC=CC=C4

InChI

InChI=1S/C26H27N7O/c1-2-18-10-12-20(13-11-18)24-22(17-33(32-24)16-19-7-4-3-5-8-19)26(34)29-14-6-9-23-21(15-27)25(28)31-30-23/h3-5,7-8,10-13,17H,2,6,9,14,16H2,1H3,(H,29,34)(H3,28,30,31)