4-[4-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]piperidin-1-yl]carbonylbenzenecarbonitrile

Systemtic Name: 4-[4-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]piperidin-1-yl]carbonylbenzenecarbonitrile Openeye Name: 4-[4-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]piperidine-1-carbonyl]benzonitrile CAS Name: 4-[[4-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-1-piperidinyl]-oxomethyl]benzonitrile IUPAC Name: 4-[4-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]piperidine-1-carbonyl]benzonitrile Traditional Name: 4-[4-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]piperidine-1-carbonyl]benzonitrile Formula: C27H31N3O2 MolecularWeight: 429.55394

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)N2CCC3=C(CC2)C=C(C=C3)OC4CCN(CC4)C(=O)C5=CC=C(C=C5)C#N

Isomeric SMILES

C1CC(C1)N2CCC3=C(CC2)C=C(C=C3)OC4CCN(CC4)C(=O)C5=CC=C(C=C5)C#N

InChI

InChI=1S/C27H31N3O2/c28-19-20-4-6-22(7-5-20)27(31)30-16-12-25(13-17-30)32-26-9-8-21-10-14-29(24-2-1-3-24)15-11-23(21)18-26/h4-9,18,24-25H,1-3,10-17H2