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

Systemtic Name: 1-(3-chloranyl-2-methyl-phenyl)-3-pyrazin-2-yl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 1-(3-chloro-2-methyl-phenyl)-3-pyrazin-2-yl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 1-(3-chloro-2-methylphenyl)-3-(2-pyrazinyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 1-(3-chloro-2-methylphenyl)-3-pyrazin-2-yl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 1-(3-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=C1Cl)N2C3=NCCCCC3=C(N2)C4=NC=CN=C4

Isomeric SMILES

CC1=C(C=CC=C1Cl)N2C3=NCCCCC3=C(N2)C4=NC=CN=C4

InChI

InChI=1S/C18H18ClN5/c1-12-14(19)6-4-7-16(12)24-18-13(5-2-3-8-22-18)17(23-24)15-11-20-9-10-21-15/h4,6-7,9-11,23H,2-3,5,8H2,1H3