N-(2-aminophenyl)-4-[3-cyano-5-[(4-ethylpiperazin-1-yl)methyl]pyridin-2-yl]benzamide

Systemtic Name: N-(2-aminophenyl)-4-[3-cyano-5-[(4-ethylpiperazin-1-yl)methyl]pyridin-2-yl]benzamide Openeye Name: N-(2-aminophenyl)-4-[3-cyano-5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridyl]benzamide CAS Name: N-(2-aminophenyl)-4-[3-cyano-5-[(4-ethyl-1-piperazinyl)methyl]-2-pyridinyl]benzamide IUPAC Name: N-(2-aminophenyl)-4-[3-cyano-5-[(4-ethylpiperazin-1-yl)methyl]pyridin-2-yl]benzamide Traditional Name: N-(2-aminophenyl)-4-[3-cyano-5-[(4-ethylpiperazino)methyl]-2-pyridyl]benzamide Formula: C26H28N6O MolecularWeight: 440.54012

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)CC2=CN=C(C(=C2)C#N)C3=CC=C(C=C3)C(=O)NC4=CC=CC=C4N

Isomeric SMILES

CCN1CCN(CC1)CC2=CN=C(C(=C2)C#N)C3=CC=C(C=C3)C(=O)NC4=CC=CC=C4N

InChI

InChI=1S/C26H28N6O/c1-2-31-11-13-32(14-12-31)18-19-15-22(16-27)25(29-17-19)20-7-9-21(10-8-20)26(33)30-24-6-4-3-5-23(24)28/h3-10,15,17H,2,11-14,18,28H2,1H3,(H,30,33)