N1-[1-[3,5-bis(fluoranyl)phenyl]-3-oxidanyl-5-(1H-pyrazol-5-yl)pentan-2-yl]-N3,N3-dipropyl-benzene-1,3,5-tricarboxamide

Systemtic Name: N1-[1-[3,5-bis(fluoranyl)phenyl]-3-oxidanyl-5-(1H-pyrazol-5-yl)pentan-2-yl]-N3,N3-dipropyl-benzene-1,3,5-tricarboxamide Openeye Name: N1-[1-[(3,5-difluorophenyl)methyl]-2-hydroxy-4-(1H-pyrazol-5-yl)butyl]-N3,N3-dipropyl-benzene-1,3,5-tricarboxamide CAS Name: N1-[1-(3,5-difluorophenyl)-3-hydroxy-5-(1H-pyrazol-5-yl)pentan-2-yl]-N3,N3-dipropylbenzene-1,3,5-tricarboxamide IUPAC Name: 1-N-[1-(3,5-difluorophenyl)-3-hydroxy-5-(1H-pyrazol-5-yl)pentan-2-yl]-3-N,3-N-dipropylbenzene-1,3,5-tricarboxamide Traditional Name: N1-[1-(3,5-difluorobenzyl)-2-hydroxy-4-(1H-pyrazol-5-yl)butyl]-N3,N3-dipropyl-benzene-1,3,5-tricarboxamide Formula: C29H35F2N5O4 MolecularWeight: 555.616106

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C(=O)C1=CC(=CC(=C1)C(=O)NC(CC2=CC(=CC(=C2)F)F)C(CCC3=CC=NN3)O)C(=O)N

Isomeric SMILES

CCCN(CCC)C(=O)C1=CC(=CC(=C1)C(=O)NC(CC2=CC(=CC(=C2)F)F)C(CCC3=CC=NN3)O)C(=O)N

InChI

InChI=1S/C29H35F2N5O4/c1-3-9-36(10-4-2)29(40)21-15-19(27(32)38)14-20(16-21)28(39)34-25(13-18-11-22(30)17-23(31)12-18)26(37)6-5-24-7-8-33-35-24/h7-8,11-12,14-17,25-26,37H,3-6,9-10,13H2,1-2H3,(H2,32,38)(H,33,35)(H,34,39)