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

Systemtic Name: 4-[[7-(3-piperidin-1-ylpropoxy)-1,2,4,5-tetrahydro-3-benzazepin-3-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[7-[3-(1-piperidyl)propoxy]-1,2,4,5-tetrahydro-3-benzazepin-3-yl]methyl]benzonitrile CAS Name: 4-[[7-[3-(1-piperidinyl)propoxy]-1,2,4,5-tetrahydro-3-benzazepin-3-yl]methyl]benzonitrile IUPAC Name: 4-[[7-(3-piperidin-1-ylpropoxy)-1,2,4,5-tetrahydro-3-benzazepin-3-yl]methyl]benzonitrile Traditional Name: 4-[[7-(3-piperidinopropoxy)-1,2,4,5-tetrahydro-3-benzazepin-3-yl]methyl]benzonitrile Formula: C26H33N3O MolecularWeight: 403.55972

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCCOC2=CC3=C(CCN(CC3)CC4=CC=C(C=C4)C#N)C=C2

Isomeric SMILES

C1CCN(CC1)CCCOC2=CC3=C(CCN(CC3)CC4=CC=C(C=C4)C#N)C=C2

InChI

InChI=1S/C26H33N3O/c27-20-22-5-7-23(8-6-22)21-29-16-11-24-9-10-26(19-25(24)12-17-29)30-18-4-15-28-13-2-1-3-14-28/h5-10,19H,1-4,11-18,21H2