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

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

CCC1=CC=C(C=C1)N2C3=NCCCCC3=C(N2)C4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

CCC1=CC=C(C=C1)N2C3=NCCCCC3=C(N2)C4CCN(CC4)CC5=CC=CC=C5

InChI

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