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

Systemtic Name: 1-(3,4-dichlorophenyl)-3-[1-(phenylmethyl)piperidin-3-yl]-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 3-(1-benzyl-3-piperidyl)-1-(3,4-dichlorophenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 1-(3,4-dichlorophenyl)-3-[1-(phenylmethyl)-3-piperidinyl]-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 3-(1-benzylpiperidin-3-yl)-1-(3,4-dichlorophenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 3-(1-benzyl-3-piperidyl)-1-(3,4-dichlorophenyl)-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine Formula: C25H28Cl2N4 MolecularWeight: 455.42262

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN=C2C(=C(NN2C3=CC(=C(C=C3)Cl)Cl)C4CCCN(C4)CC5=CC=CC=C5)C1

Isomeric SMILES

C1CCN=C2C(=C(NN2C3=CC(=C(C=C3)Cl)Cl)C4CCCN(C4)CC5=CC=CC=C5)C1

InChI

InChI=1S/C25H28Cl2N4/c26-22-12-11-20(15-23(22)27)31-25-21(10-4-5-13-28-25)24(29-31)19-9-6-14-30(17-19)16-18-7-2-1-3-8-18/h1-3,7-8,11-12,15,19,29H,4-6,9-10,13-14,16-17H2