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

Systemtic Name: 1-(4-chloranyl-2-methyl-phenyl)-3-pyrazin-2-yl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 1-(4-chloro-2-methyl-phenyl)-3-pyrazin-2-yl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 1-(4-chloro-2-methylphenyl)-3-(2-pyrazinyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 1-(4-chloro-2-methylphenyl)-3-pyrazin-2-yl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 1-(4-chloro-2-methyl-phenyl)-3-pyrazin-2-yl-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine Formula: C18H18ClN5 MolecularWeight: 339.82202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)N2C3=NCCCCC3=C(N2)C4=NC=CN=C4

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)N2C3=NCCCCC3=C(N2)C4=NC=CN=C4

InChI

InChI=1S/C18H18ClN5/c1-12-10-13(19)5-6-16(12)24-18-14(4-2-3-7-22-18)17(23-24)15-11-20-8-9-21-15/h5-6,8-11,23H,2-4,7H2,1H3