N1-[1-[3,5-bis(fluoranyl)phenyl]-4-[butyl-(2-methylpropanoylamino)amino]-3-oxidanyl-butan-2-yl]-N3,N3-dipropyl-5-prop-1-ynyl-benzene-1,3-dicarboxamide

Systemtic Name: N1-[1-[3,5-bis(fluoranyl)phenyl]-4-[butyl-(2-methylpropanoylamino)amino]-3-oxidanyl-butan-2-yl]-N3,N3-dipropyl-5-prop-1-ynyl-benzene-1,3-dicarboxamide Openeye Name: N1-[3-[butyl-(2-methylpropanoylamino)amino]-1-[(3,5-difluorophenyl)methyl]-2-hydroxy-propyl]-N3,N3-dipropyl-5-prop-1-ynyl-benzene-1,3-dicarboxamide CAS Name: N1-[4-[butyl-[(2-methyl-1-oxopropyl)amino]amino]-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]-N3,N3-dipropyl-5-prop-1-ynylbenzene-1,3-dicarboxamide IUPAC Name: 1-N-[4-[butyl-(2-methylpropanoylamino)amino]-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]-3-N,3-N-dipropyl-5-prop-1-ynylbenzene-1,3-dicarboxamide Traditional Name: N-[3-[butyl-(isobutyrylamino)amino]-1-(3,5-difluorobenzyl)-2-hydroxy-propyl]-N',N'-dipropyl-5-prop-1-ynyl-isophthalamide Formula: C35H48F2N4O4 MolecularWeight: 626.776826

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC(C(CC1=CC(=CC(=C1)F)F)NC(=O)C2=CC(=CC(=C2)C#CC)C(=O)N(CCC)CCC)O)NC(=O)C(C)C

Isomeric SMILES

CCCCN(CC(C(CC1=CC(=CC(=C1)F)F)NC(=O)C2=CC(=CC(=C2)C#CC)C(=O)N(CCC)CCC)O)NC(=O)C(C)C

InChI

InChI=1S/C35H48F2N4O4/c1-7-11-15-41(39-33(43)24(5)6)23-32(42)31(20-26-18-29(36)22-30(37)19-26)38-34(44)27-16-25(12-8-2)17-28(21-27)35(45)40(13-9-3)14-10-4/h16-19,21-22,24,31-32,42H,7,9-11,13-15,20,23H2,1-6H3,(H,38,44)(H,39,43)