4-[7-(3-piperidin-1-ylpropoxy)-1,2,4,5-tetrahydro-3-benzazepin-3-yl]benzenecarbonitrile

Systemtic Name: 4-[7-(3-piperidin-1-ylpropoxy)-1,2,4,5-tetrahydro-3-benzazepin-3-yl]benzenecarbonitrile Openeye Name: 4-[7-[3-(1-piperidyl)propoxy]-1,2,4,5-tetrahydro-3-benzazepin-3-yl]benzonitrile CAS Name: 4-[7-[3-(1-piperidinyl)propoxy]-1,2,4,5-tetrahydro-3-benzazepin-3-yl]benzonitrile IUPAC Name: 4-[7-(3-piperidin-1-ylpropoxy)-1,2,4,5-tetrahydro-3-benzazepin-3-yl]benzonitrile Traditional Name: 4-[7-(3-piperidinopropoxy)-1,2,4,5-tetrahydro-3-benzazepin-3-yl]benzonitrile Formula: C25H31N3O MolecularWeight: 389.53314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCCOC2=CC3=C(CCN(CC3)C4=CC=C(C=C4)C#N)C=C2

Isomeric SMILES

C1CCN(CC1)CCCOC2=CC3=C(CCN(CC3)C4=CC=C(C=C4)C#N)C=C2

InChI

InChI=1S/C25H31N3O/c26-20-21-5-8-24(9-6-21)28-16-11-22-7-10-25(19-23(22)12-17-28)29-18-4-15-27-13-2-1-3-14-27/h5-10,19H,1-4,11-18H2