N-[[3-[4-(3-cyanopyridin-2-yl)piperazin-1-yl]carbonylphenyl]methoxy]-2-(pyridin-4-ylmethylamino)benzamide

Systemtic Name: N-[[3-[4-(3-cyanopyridin-2-yl)piperazin-1-yl]carbonylphenyl]methoxy]-2-(pyridin-4-ylmethylamino)benzamide Openeye Name: N-[[3-[4-(3-cyano-2-pyridyl)piperazine-1-carbonyl]phenyl]methoxy]-2-(4-pyridylmethylamino)benzamide CAS Name: N-[[3-[[4-(3-cyano-2-pyridinyl)-1-piperazinyl]-oxomethyl]phenyl]methoxy]-2-(pyridin-4-ylmethylamino)benzamide IUPAC Name: N-[[3-[4-(3-cyanopyridin-2-yl)piperazine-1-carbonyl]phenyl]methoxy]-2-(pyridin-4-ylmethylamino)benzamide Traditional Name: N-[3-[4-(3-cyano-2-pyridyl)piperazine-1-carbonyl]benzyl]oxy-2-(4-pyridylmethylamino)benzamide Formula: C31H29N7O3 MolecularWeight: 547.60706

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=CC=N2)C#N)C(=O)C3=CC(=CC=C3)CONC(=O)C4=CC=CC=C4NCC5=CC=NC=C5

Isomeric SMILES

C1CN(CCN1C2=C(C=CC=N2)C#N)C(=O)C3=CC(=CC=C3)CONC(=O)C4=CC=CC=C4NCC5=CC=NC=C5

InChI

InChI=1S/C31H29N7O3/c32-20-26-7-4-12-34-29(26)37-15-17-38(18-16-37)31(40)25-6-3-5-24(19-25)22-41-36-30(39)27-8-1-2-9-28(27)35-21-23-10-13-33-14-11-23/h1-14,19,35H,15-18,21-22H2,(H,36,39)