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

Systemtic Name: 1-(3-chloranyl-4-methyl-phenyl)-3-(phenylmethyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 3-benzyl-1-(3-chloro-4-methyl-phenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 1-(3-chloro-4-methylphenyl)-3-(phenylmethyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 3-benzyl-1-(3-chloro-4-methylphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 3-benzyl-1-(3-chloro-4-methyl-phenyl)-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine Formula: C21H22ClN3 MolecularWeight: 351.87248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C3=NCCCCC3=C(N2)CC4=CC=CC=C4)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2C3=NCCCCC3=C(N2)CC4=CC=CC=C4)Cl

InChI

InChI=1S/C21H22ClN3/c1-15-10-11-17(14-19(15)22)25-21-18(9-5-6-12-23-21)20(24-25)13-16-7-3-2-4-8-16/h2-4,7-8,10-11,14,24H,5-6,9,12-13H2,1H3