4-[[[(E)-3-(4-aminophenyl)prop-2-enoyl]amino]methyl]-N-(2-azanylpyridin-3-yl)benzamide

Systemtic Name: 4-[[[(E)-3-(4-aminophenyl)prop-2-enoyl]amino]methyl]-N-(2-azanylpyridin-3-yl)benzamide Openeye Name: 4-[[[(E)-3-(4-aminophenyl)prop-2-enoyl]amino]methyl]-N-(2-amino-3-pyridyl)benzamide CAS Name: 4-[[[(E)-3-(4-aminophenyl)-1-oxoprop-2-enyl]amino]methyl]-N-(2-amino-3-pyridinyl)benzamide IUPAC Name: 4-[[[(E)-3-(4-aminophenyl)prop-2-enoyl]amino]methyl]-N-(2-aminopyridin-3-yl)benzamide Traditional Name: 4-[[[(E)-3-(4-aminophenyl)acryloyl]amino]methyl]-N-(2-amino-3-pyridyl)benzamide Formula: C22H21N5O2 MolecularWeight: 387.43444

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)N)NC(=O)C2=CC=C(C=C2)CNC(=O)C=CC3=CC=C(C=C3)N

Isomeric SMILES

C1=CC(=C(N=C1)N)NC(=O)C2=CC=C(C=C2)CNC(=O)/C=C/C3=CC=C(C=C3)N

InChI

InChI=1S/C22H21N5O2/c23-18-10-5-15(6-11-18)7-12-20(28)26-14-16-3-8-17(9-4-16)22(29)27-19-2-1-13-25-21(19)24/h1-13H,14,23H2,(H2,24,25)(H,26,28)(H,27,29)/b12-7+