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

Systemtic Name: 3-[4-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)piperazin-1-yl]benzenecarbonitrile Openeye Name: 3-[4-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)piperazin-1-yl]benzonitrile CAS Name: 3-[4-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-1-piperazinyl]benzonitrile IUPAC Name: 3-[4-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)piperazin-1-yl]benzonitrile Traditional Name: 3-[4-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)piperazino]benzonitrile Formula: C25H30N4 MolecularWeight: 386.5325

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)N2CCC3=C(CC2)C=C(C=C3)N4CCN(CC4)C5=CC=CC(=C5)C#N

Isomeric SMILES

C1CC(C1)N2CCC3=C(CC2)C=C(C=C3)N4CCN(CC4)C5=CC=CC(=C5)C#N

InChI

InChI=1S/C25H30N4/c26-19-20-3-1-6-24(17-20)28-13-15-29(16-14-28)25-8-7-21-9-11-27(23-4-2-5-23)12-10-22(21)18-25/h1,3,6-8,17-18,23H,2,4-5,9-16H2