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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=O)C=CC2=CC=C(C=C2)N)C(=O)NC3=C(C=NC=C3)N

Isomeric SMILES

C1=CC(=CC=C1CNC(=O)/C=C/C2=CC=C(C=C2)N)C(=O)NC3=C(C=NC=C3)N

InChI

InChI=1S/C22H21N5O2/c23-18-8-3-15(4-9-18)5-10-21(28)26-13-16-1-6-17(7-2-16)22(29)27-20-11-12-25-14-19(20)24/h1-12,14H,13,23-24H2,(H,26,28)(H,25,27,29)/b10-5+