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

Systemtic Name: 1-(3-chloranyl-2-methyl-phenyl)-3-propan-2-yl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 1-(3-chloro-2-methyl-phenyl)-3-isopropyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 1-(3-chloro-2-methylphenyl)-3-propan-2-yl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 1-(3-chloro-2-methylphenyl)-3-propan-2-yl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 1-(3-chloro-2-methyl-phenyl)-3-isopropyl-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine Formula: C17H22ClN3 MolecularWeight: 303.82968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)N2C3=NCCCCC3=C(N2)C(C)C

Isomeric SMILES

CC1=C(C=CC=C1Cl)N2C3=NCCCCC3=C(N2)C(C)C

InChI

InChI=1S/C17H22ClN3/c1-11(2)16-13-7-4-5-10-19-17(13)21(20-16)15-9-6-8-14(18)12(15)3/h6,8-9,11,20H,4-5,7,10H2,1-3H3