2-methyl-5-[4-[3-methylbutyl-[4-(2-phenylethynyl)phenyl]amino]piperidin-1-yl]-5-oxidanylidene-pentanamide

Systemtic Name: 2-methyl-5-[4-[3-methylbutyl-[4-(2-phenylethynyl)phenyl]amino]piperidin-1-yl]-5-oxidanylidene-pentanamide Openeye Name: 5-[4-[N-isopentyl-4-(2-phenylethynyl)anilino]-1-piperidyl]-2-methyl-5-oxo-pentanamide CAS Name: 2-methyl-5-[4-[N-(3-methylbutyl)-4-(2-phenylethynyl)anilino]-1-piperidinyl]-5-oxopentanamide IUPAC Name: 2-methyl-5-[4-[N-(3-methylbutyl)-4-(2-phenylethynyl)anilino]piperidin-1-yl]-5-oxopentanamide Traditional Name: 5-[4-[N-isoamyl-4-(2-phenylethynyl)anilino]piperidino]-5-keto-2-methyl-valeramide Formula: C30H39N3O2 MolecularWeight: 473.64956

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN(C1CCN(CC1)C(=O)CCC(C)C(=O)N)C2=CC=C(C=C2)C#CC3=CC=CC=C3

Isomeric SMILES

CC(C)CCN(C1CCN(CC1)C(=O)CCC(C)C(=O)N)C2=CC=C(C=C2)C#CC3=CC=CC=C3

InChI

InChI=1S/C30H39N3O2/c1-23(2)17-22-33(27-14-12-26(13-15-27)11-10-25-7-5-4-6-8-25)28-18-20-32(21-19-28)29(34)16-9-24(3)30(31)35/h4-8,12-15,23-24,28H,9,16-22H2,1-3H3,(H2,31,35)