1-(4-methoxyphenyl)-3-pyrazin-2-yl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine

Systemtic Name: 1-(4-methoxyphenyl)-3-pyrazin-2-yl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 1-(4-methoxyphenyl)-3-pyrazin-2-yl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 1-(4-methoxyphenyl)-3-(2-pyrazinyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 1-(4-methoxyphenyl)-3-pyrazin-2-yl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 1-(4-methoxyphenyl)-3-pyrazin-2-yl-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine Formula: C18H19N5O MolecularWeight: 321.37636

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C3=NCCCCC3=C(N2)C4=NC=CN=C4

Isomeric SMILES

COC1=CC=C(C=C1)N2C3=NCCCCC3=C(N2)C4=NC=CN=C4

InChI

InChI=1S/C18H19N5O/c1-24-14-7-5-13(6-8-14)23-18-15(4-2-3-9-21-18)17(22-23)16-12-19-10-11-20-16/h5-8,10-12,22H,2-4,9H2,1H3