N-(6-azanylhexyl)-5-phenethyl-1-(4-phenyl-1,3-thiazol-2-yl)pyrazole-4-carboxamide

Systemtic Name: N-(6-azanylhexyl)-5-phenethyl-1-(4-phenyl-1,3-thiazol-2-yl)pyrazole-4-carboxamide Openeye Name: N-(6-aminohexyl)-5-phenethyl-1-(4-phenylthiazol-2-yl)pyrazole-4-carboxamide CAS Name: N-(6-aminohexyl)-5-phenethyl-1-(4-phenyl-2-thiazolyl)-4-pyrazolecarboxamide IUPAC Name: N-(6-aminohexyl)-5-phenethyl-1-(4-phenyl-1,3-thiazol-2-yl)pyrazole-4-carboxamide Traditional Name: N-(6-aminohexyl)-5-phenethyl-1-(4-phenylthiazol-2-yl)pyrazole-4-carboxamide Formula: C27H31N5OS MolecularWeight: 473.63294

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC2=C(C=NN2C3=NC(=CS3)C4=CC=CC=C4)C(=O)NCCCCCCN

Isomeric SMILES

C1=CC=C(C=C1)CCC2=C(C=NN2C3=NC(=CS3)C4=CC=CC=C4)C(=O)NCCCCCCN

InChI

InChI=1S/C27H31N5OS/c28-17-9-1-2-10-18-29-26(33)23-19-30-32(25(23)16-15-21-11-5-3-6-12-21)27-31-24(20-34-27)22-13-7-4-8-14-22/h3-8,11-14,19-20H,1-2,9-10,15-18,28H2,(H,29,33)