N-(2-aminophenyl)-4-[(E)-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]prop-1-enyl]benzamide

Systemtic Name: N-(2-aminophenyl)-4-[(E)-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]prop-1-enyl]benzamide Openeye Name: N-(2-aminophenyl)-4-[(E)-3-[[4-(3-pyridyl)pyrimidin-2-yl]amino]prop-1-enyl]benzamide CAS Name: N-(2-aminophenyl)-4-[(E)-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]prop-1-enyl]benzamide IUPAC Name: N-(2-aminophenyl)-4-[(E)-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]prop-1-enyl]benzamide Traditional Name: N-(2-aminophenyl)-4-[(E)-3-[[4-(3-pyridyl)pyrimidin-2-yl]amino]prop-1-enyl]benzamide Formula: C25H22N6O MolecularWeight: 422.48178

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)C=CCNC3=NC=CC(=N3)C4=CN=CC=C4

Isomeric SMILES

C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)/C=C/CNC3=NC=CC(=N3)C4=CN=CC=C4

InChI

InChI=1S/C25H22N6O/c26-21-7-1-2-8-23(21)30-24(32)19-11-9-18(10-12-19)5-3-15-28-25-29-16-13-22(31-25)20-6-4-14-27-17-20/h1-14,16-17H,15,26H2,(H,30,32)(H,28,29,31)/b5-3+