N-[3-[[(5-cyano-4-isocyano-pyridin-2-yl)amino]carbamoylamino]-4-methoxy-phenyl]-2-(2,4-dimethylphenoxy)butanamide

Systemtic Name: N-[3-[[(5-cyano-4-isocyano-pyridin-2-yl)amino]carbamoylamino]-4-methoxy-phenyl]-2-(2,4-dimethylphenoxy)butanamide Openeye Name: N-[3-[[(5-cyano-4-isocyano-2-pyridyl)amino]carbamoylamino]-4-methoxy-phenyl]-2-(2,4-dimethylphenoxy)butanamide CAS Name: N-[3-[[[(5-cyano-4-isocyano-2-pyridinyl)hydrazo]-oxomethyl]amino]-4-methoxyphenyl]-2-(2,4-dimethylphenoxy)butanamide IUPAC Name: N-[3-[[(5-cyano-4-isocyanopyridin-2-yl)amino]carbamoylamino]-4-methoxyphenyl]-2-(2,4-dimethylphenoxy)butanamide Traditional Name: N-[3-[[(5-cyano-4-isocyano-2-pyridyl)amino]carbamoylamino]-4-methoxy-phenyl]-2-(2,4-dimethylphenoxy)butyramide Formula: C27H27N7O4 MolecularWeight: 513.54778

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC(=C(C=C1)OC)NC(=O)NNC2=NC=C(C(=C2)[N+]#[C-])C#N)OC3=C(C=C(C=C3)C)C

Isomeric SMILES

CCC(C(=O)NC1=CC(=C(C=C1)OC)NC(=O)NNC2=NC=C(C(=C2)[N+]#[C-])C#N)OC3=C(C=C(C=C3)C)C

InChI

InChI=1S/C27H27N7O4/c1-6-22(38-23-9-7-16(2)11-17(23)3)26(35)31-19-8-10-24(37-5)21(12-19)32-27(36)34-33-25-13-20(29-4)18(14-28)15-30-25/h7-13,15,22H,6H2,1-3,5H3,(H,30,33)(H,31,35)(H2,32,34,36)