N-[5-bromanyl-2-[[4-(2-cyanophenyl)phenyl]methylamino]-4,6-dimethyl-pyridin-3-yl]butanamide

Systemtic Name: N-[5-bromanyl-2-[[4-(2-cyanophenyl)phenyl]methylamino]-4,6-dimethyl-pyridin-3-yl]butanamide Openeye Name: N-[5-bromo-2-[[4-(2-cyanophenyl)phenyl]methylamino]-4,6-dimethyl-3-pyridyl]butanamide CAS Name: N-[5-bromo-2-[[4-(2-cyanophenyl)phenyl]methylamino]-4,6-dimethyl-3-pyridinyl]butanamide IUPAC Name: N-[5-bromo-2-[[4-(2-cyanophenyl)phenyl]methylamino]-4,6-dimethylpyridin-3-yl]butanamide Traditional Name: N-[5-bromo-2-[[4-(2-cyanophenyl)benzyl]amino]-4,6-dimethyl-3-pyridyl]butyramide Formula: C25H25BrN4O MolecularWeight: 477.3962

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=C(C(=C(N=C1NCC2=CC=C(C=C2)C3=CC=CC=C3C#N)C)Br)C

Isomeric SMILES

CCCC(=O)NC1=C(C(=C(N=C1NCC2=CC=C(C=C2)C3=CC=CC=C3C#N)C)Br)C

InChI

InChI=1S/C25H25BrN4O/c1-4-7-22(31)30-24-16(2)23(26)17(3)29-25(24)28-15-18-10-12-19(13-11-18)21-9-6-5-8-20(21)14-27/h5-6,8-13H,4,7,15H2,1-3H3,(H,28,29)(H,30,31)