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

Systemtic Name: N-(2-aminophenyl)-4-[3-cyano-5-[[4-(2-dimethylaminoethyl)piperazin-1-yl]methyl]pyridin-2-yl]benzamide Openeye Name: N-(2-aminophenyl)-4-[3-cyano-5-[[4-(2-dimethylaminoethyl)piperazin-1-yl]methyl]-2-pyridyl]benzamide CAS Name: N-(2-aminophenyl)-4-[3-cyano-5-[[4-(2-dimethylaminoethyl)-1-piperazinyl]methyl]-2-pyridinyl]benzamide IUPAC Name: N-(2-aminophenyl)-4-[3-cyano-5-[[4-(2-dimethylaminoethyl)piperazin-1-yl]methyl]pyridin-2-yl]benzamide Traditional Name: N-(2-aminophenyl)-4-[3-cyano-5-[[4-(2-dimethylaminoethyl)piperazino]methyl]-2-pyridyl]benzamide Formula: C28H33N7O MolecularWeight: 483.60792

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H33N7O/c1-33(2)11-12-34-13-15-35(16-14-34)20-21-17-24(18-29)27(31-19-21)22-7-9-23(10-8-22)28(36)32-26-6-4-3-5-25(26)30/h3-10,17,19H,11-16,20,30H2,1-2H3,(H,32,36)