2-azanyl-N-[2-[[4-bromanyl-2-(pyridin-2-ylmethyl)phenyl]amino]-2-oxidanylidene-ethyl]-4-methyl-pentanamide

Systemtic Name: 2-azanyl-N-[2-[[4-bromanyl-2-(pyridin-2-ylmethyl)phenyl]amino]-2-oxidanylidene-ethyl]-4-methyl-pentanamide Openeye Name: 2-amino-N-[2-[4-bromo-2-(2-pyridylmethyl)anilino]-2-oxo-ethyl]-4-methyl-pentanamide CAS Name: 2-amino-N-[2-[4-bromo-2-(2-pyridinylmethyl)anilino]-2-oxoethyl]-4-methylpentanamide IUPAC Name: 2-amino-N-[2-[4-bromo-2-(pyridin-2-ylmethyl)anilino]-2-oxoethyl]-4-methylpentanamide Traditional Name: 2-amino-N-[2-[4-bromo-2-(2-pyridylmethyl)anilino]-2-keto-ethyl]-4-methyl-valeramide Formula: C20H25BrN4O2 MolecularWeight: 433.3421

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC(=O)NC1=C(C=C(C=C1)Br)CC2=CC=CC=N2)N

Isomeric SMILES

CC(C)CC(C(=O)NCC(=O)NC1=C(C=C(C=C1)Br)CC2=CC=CC=N2)N

InChI

InChI=1S/C20H25BrN4O2/c1-13(2)9-17(22)20(27)24-12-19(26)25-18-7-6-15(21)10-14(18)11-16-5-3-4-8-23-16/h3-8,10,13,17H,9,11-12,22H2,1-2H3,(H,24,27)(H,25,26)