1-(2,3-dimethylphenyl)-3-[1-(phenylmethyl)piperidin-2-yl]-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine

Systemtic Name: 1-(2,3-dimethylphenyl)-3-[1-(phenylmethyl)piperidin-2-yl]-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 3-(1-benzyl-2-piperidyl)-1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 1-(2,3-dimethylphenyl)-3-[1-(phenylmethyl)-2-piperidinyl]-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 3-(1-benzylpiperidin-2-yl)-1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 3-(1-benzyl-2-piperidyl)-1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine Formula: C27H34N4 MolecularWeight: 414.58566

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2C3=NCCCCC3=C(N2)C4CCCCN4CC5=CC=CC=C5)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2C3=NCCCCC3=C(N2)C4CCCCN4CC5=CC=CC=C5)C

InChI

InChI=1S/C27H34N4/c1-20-11-10-16-24(21(20)2)31-27-23(14-6-8-17-28-27)26(29-31)25-15-7-9-18-30(25)19-22-12-4-3-5-13-22/h3-5,10-13,16,25,29H,6-9,14-15,17-19H2,1-2H3