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

Systemtic Name: 4-[3-[1-(phenylmethyl)piperidin-3-yl]-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepin-1-yl]benzenecarbonitrile Openeye Name: 4-[3-(1-benzyl-3-piperidyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepin-1-yl]benzonitrile CAS Name: 4-[3-[1-(phenylmethyl)-3-piperidinyl]-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepin-1-yl]benzonitrile IUPAC Name: 4-[3-(1-benzylpiperidin-3-yl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepin-1-yl]benzonitrile Traditional Name: 4-[3-(1-benzyl-3-piperidyl)-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepin-1-yl]benzonitrile Formula: C26H29N5 MolecularWeight: 411.54196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H29N5/c27-17-20-11-13-23(14-12-20)31-26-24(10-4-5-15-28-26)25(29-31)22-9-6-16-30(19-22)18-21-7-2-1-3-8-21/h1-3,7-8,11-14,22,29H,4-6,9-10,15-16,18-19H2