methyl (E)-3-[3-[6-(4-methyl-1,4-diazepan-1-yl)pyrazin-2-yl]phenyl]prop-2-enoate

Systemtic Name: methyl (E)-3-[3-[6-(4-methyl-1,4-diazepan-1-yl)pyrazin-2-yl]phenyl]prop-2-enoate Openeye Name: methyl (E)-3-[3-[6-(4-methyl-1,4-diazepan-1-yl)pyrazin-2-yl]phenyl]prop-2-enoate CAS Name: (E)-3-[3-[6-(4-methyl-1,4-diazepan-1-yl)-2-pyrazinyl]phenyl]-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-[3-[6-(4-methyl-1,4-diazepan-1-yl)pyrazin-2-yl]phenyl]prop-2-enoate Traditional Name: (E)-3-[3-[6-(4-methyl-1,4-diazepan-1-yl)pyrazin-2-yl]phenyl]acrylic acid methyl ester Formula: C20H24N4O2 MolecularWeight: 352.43016

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCN(CC1)C2=NC(=CN=C2)C3=CC(=CC=C3)C=CC(=O)OC

Isomeric SMILES

CN1CCCN(CC1)C2=NC(=CN=C2)C3=CC(=CC=C3)/C=C/C(=O)OC

InChI

InChI=1S/C20H24N4O2/c1-23-9-4-10-24(12-11-23)19-15-21-14-18(22-19)17-6-3-5-16(13-17)7-8-20(25)26-2/h3,5-8,13-15H,4,9-12H2,1-2H3/b8-7+