2-azanyl-N-[3-[4-chloranyl-2-[(5-cyanopyridin-2-yl)carbamoylamino]phenoxy]propyl]-4-phenyl-butanamide

Systemtic Name: 2-azanyl-N-[3-[4-chloranyl-2-[(5-cyanopyridin-2-yl)carbamoylamino]phenoxy]propyl]-4-phenyl-butanamide Openeye Name: 2-amino-N-[3-[4-chloro-2-[(5-cyano-2-pyridyl)carbamoylamino]phenoxy]propyl]-4-phenyl-butanamide CAS Name: 2-amino-N-[3-[4-chloro-2-[[[(5-cyano-2-pyridinyl)amino]-oxomethyl]amino]phenoxy]propyl]-4-phenylbutanamide IUPAC Name: 2-amino-N-[3-[4-chloro-2-[(5-cyanopyridin-2-yl)carbamoylamino]phenoxy]propyl]-4-phenylbutanamide Traditional Name: 2-amino-N-[3-[4-chloro-2-[(5-cyano-2-pyridyl)carbamoylamino]phenoxy]propyl]-4-phenyl-butyramide Formula: C26H27ClN6O3 MolecularWeight: 506.98398

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(C(=O)NCCCOC2=C(C=C(C=C2)Cl)NC(=O)NC3=NC=C(C=C3)C#N)N

Isomeric SMILES

C1=CC=C(C=C1)CCC(C(=O)NCCCOC2=C(C=C(C=C2)Cl)NC(=O)NC3=NC=C(C=C3)C#N)N

InChI

InChI=1S/C26H27ClN6O3/c27-20-9-11-23(22(15-20)32-26(35)33-24-12-8-19(16-28)17-31-24)36-14-4-13-30-25(34)21(29)10-7-18-5-2-1-3-6-18/h1-3,5-6,8-9,11-12,15,17,21H,4,7,10,13-14,29H2,(H,30,34)(H2,31,32,33,35)