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

Systemtic Name: N-(2-aminophenyl)-4-[3-cyano-5-[(2-pyrrolidin-1-ylethylamino)methyl]pyridin-2-yl]benzamide Openeye Name: N-(2-aminophenyl)-4-[3-cyano-5-[(2-pyrrolidin-1-ylethylamino)methyl]-2-pyridyl]benzamide CAS Name: N-(2-aminophenyl)-4-[3-cyano-5-[[2-(1-pyrrolidinyl)ethylamino]methyl]-2-pyridinyl]benzamide IUPAC Name: N-(2-aminophenyl)-4-[3-cyano-5-[(2-pyrrolidin-1-ylethylamino)methyl]pyridin-2-yl]benzamide Traditional Name: N-(2-aminophenyl)-4-[3-cyano-5-[(2-pyrrolidinoethylamino)methyl]-2-pyridyl]benzamide Formula: C26H28N6O MolecularWeight: 440.54012

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCNCC2=CN=C(C(=C2)C#N)C3=CC=C(C=C3)C(=O)NC4=CC=CC=C4N

Isomeric SMILES

C1CCN(C1)CCNCC2=CN=C(C(=C2)C#N)C3=CC=C(C=C3)C(=O)NC4=CC=CC=C4N

InChI

InChI=1S/C26H28N6O/c27-16-22-15-19(17-29-11-14-32-12-3-4-13-32)18-30-25(22)20-7-9-21(10-8-20)26(33)31-24-6-2-1-5-23(24)28/h1-2,5-10,15,18,29H,3-4,11-14,17,28H2,(H,31,33)