(E)-3-[3-[6-(azepan-1-yl)pyrazin-2-yl]phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[3-[6-(azepan-1-yl)pyrazin-2-yl]phenyl]prop-2-enoic acid Openeye Name: (E)-3-[3-[6-(azepan-1-yl)pyrazin-2-yl]phenyl]prop-2-enoic acid CAS Name: (E)-3-[3-[6-(1-azepanyl)-2-pyrazinyl]phenyl]-2-propenoic acid IUPAC Name: (E)-3-[3-[6-(azepan-1-yl)pyrazin-2-yl]phenyl]prop-2-enoic acid Traditional Name: (E)-3-[3-[6-(azepan-1-yl)pyrazin-2-yl]phenyl]acrylic acid Formula: C19H21N3O2 MolecularWeight: 323.38894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NC(=CN=C2)C3=CC(=CC=C3)C=CC(=O)O

Isomeric SMILES

C1CCCN(CC1)C2=NC(=CN=C2)C3=CC(=CC=C3)/C=C/C(=O)O

InChI

InChI=1S/C19H21N3O2/c23-19(24)9-8-15-6-5-7-16(12-15)17-13-20-14-18(21-17)22-10-3-1-2-4-11-22/h5-9,12-14H,1-4,10-11H2,(H,23,24)/b9-8+