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

Systemtic Name: N-(2-aminophenyl)-4-[3-cyano-5-[(4-prop-2-enylpiperazin-1-yl)methyl]pyridin-2-yl]benzamide Openeye Name: 4-[5-[(4-allylpiperazin-1-yl)methyl]-3-cyano-2-pyridyl]-N-(2-aminophenyl)benzamide CAS Name: N-(2-aminophenyl)-4-[3-cyano-5-[(4-prop-2-enyl-1-piperazinyl)methyl]-2-pyridinyl]benzamide IUPAC Name: N-(2-aminophenyl)-4-[3-cyano-5-[(4-prop-2-enylpiperazin-1-yl)methyl]pyridin-2-yl]benzamide Traditional Name: 4-[5-[(4-allylpiperazino)methyl]-3-cyano-2-pyridyl]-N-(2-aminophenyl)benzamide Formula: C27H28N6O MolecularWeight: 452.55082

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H28N6O/c1-2-11-32-12-14-33(15-13-32)19-20-16-23(17-28)26(30-18-20)21-7-9-22(10-8-21)27(34)31-25-6-4-3-5-24(25)29/h2-10,16,18H,1,11-15,19,29H2,(H,31,34)